SCHEMBL580818

SCHEMBL580818

O=C(O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
KMO O15229 1/20 0.51
NPC1 O15118 2/20 0.51
HPGD P15428 2/20 0.51
AKR1C3 P42330 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NOTUM Q6P988 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
PIK3CA P42336 1/20 0.49
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17911862 0.89 TTR (0.59) TTRSMN1; SMN2TP53MAPTTHRB
SCHEMBL250807 0.87 SMN1; SMN2 (0.59) SMN1; SMN2TP53MAPTTHRBHPGD
SCHEMBL2709426 0.87 SMN1; SMN2 (0.56) SMN1; SMN2TP53MAPTTHRBNPC1
SCHEMBL23648381 0.87 SMN1; SMN2 (0.54) SMN1; SMN2TP53MAPTTHRBNPC1
SCHEMBL3526351 0.87 TTR (0.59) TTRTSHRGAAKDM4E
SCHEMBL12433016 0.86 NOTUM (0.53) SMN1; SMN2TP53MAPTTHRBNPC1
SCHEMBL2776207 0.85 KDM4E (0.61) TTRTSHRGAAKDM4E
SCHEMBL3643489 0.85 KDM4E (0.61) TTRTSHRGAAKDM4E
SCHEMBL20716309 0.85 NPC1 (0.52) SMN1; SMN2TP53MAPTTHRBNPC1
SCHEMBL20703196 0.84 NPC1 (0.55) SMN1; SMN2TP53MAPTTHRBNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407745-B2 Indazole derivatives and pharmaceutical composition for preventing, alleviating or treating cancer containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-08-09 US disclosed
US-20200392127-A1 NOVEL INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING CANCER CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-12-17 US disclosed
US-20200392127-A1 NOVEL INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING CANCER CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-12-17 US disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-08 US disclosed
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2018-02-08 US disclosed
EP-2528925-B1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI SCIENCE CO LTD (KR) 2017-07-05 EP disclosed
EP-2528925-B1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI SCIENCE CO LTD (KR) 2017-07-05 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-7371743-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
CN-101103022-A New carboxylic acid amide used as XA inhititor BOEHRINGER INGELHEIM PHARMA (DE) 2008-01-09 CN disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
EP-1771441-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-04-11 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
CN-1684951-A Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2005-10-19 CN disclosed
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed
WO-2005082895-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200392127-A1 NOVEL INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING CANCER CONTAINING THE SAME ABL1, DDR1, ABL2 TTR 2986/4885SMN1; SMN2 3139/4885TP53 15/4885
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT RET, PDGFRB, FLT3 TTR 1890/4885SMN1; SMN2 3071/4885TP53 1466/4885
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD TTR 3121/4885SMN1; SMN2 1503/4885TP53 398/4885
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient PDGFRB, RET, PDGFRA TTR 1721/4885SMN1; SMN2 3352/4885TP53 891/4885
US-11407745-B2 Indazole derivatives and pharmaceutical composition for preventing, alleviating or treating cancer containing the same ABL1, DDR1, ABL2 TTR 2655/4885SMN1; SMN2 3077/4885TP53 24/4885
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide F12, TFPI, F11 TTR 512/4885SMN1; SMN2 3281/4885TP53 3884/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.