SCHEMBL443596

SCHEMBL443596

Cc1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.73
MAPT P10636 16/20 0.69
PKM P14618 1/20 0.69
ALDH1A1 P00352 11/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MITF O75030 1/20 0.61
NTSR1 P30989 1/20 0.61
MAPK1 P28482 2/20 0.61
CYP2C9 P11712 3/20 0.60
LMNA P02545 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL29788558 1.00 HPGD (0.73) HPGDMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL31129978 0.88 ALDH1A1 (0.67) HPGDMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL375310 0.88 ALDH1A1 (0.67) HPGDMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL18036523 0.86 MAPT (0.75) HPGDMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL6653754 0.86 HPGD (0.97) HPGDMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL573146 0.84 HPGD (1.00) HPGDMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL7050664 0.84 HPGD (0.88) HPGDMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL3837554 0.84 HPGD (1.00) HPGDMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL170932 0.83 HPGD (0.75) HPGDMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL15340797 0.82 MAPT (0.66) HPGDMAPTPKMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 US disclosed
EP-3966207-B1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS LLC (US) 2023-11-01 EP disclosed
CN-116669725-A Novel aminopyridine and use thereof in the treatment of cancer 奥克兰联合服务有限公司 2023-08-29 CN disclosed
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 EP disclosed
CN-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 CN disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 WO disclosed
CN-111217816-A FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2020-06-02 CN disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor ALINEA PHARMACEUTICALS, INC. 2001-11-15 US disclosed
EP-1135124-A2 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUDED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-09-26 EP disclosed
WO-2001064205-A2 COMPOSITIONS CONTAINING A SUBSTITUTED INDOLEALKANOIC ACID AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-09-07 WO disclosed
US-20010016661-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY 2001-08-23 US disclosed
WO-2001051489-A2 METHODS FOR LOWERING URIC ACID LEVELS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-07-19 WO disclosed
CN-1296485-A Substituted indolealkanoic acids INST FOR PHARM DISCOVERY INC (US) 2001-05-23 CN disclosed
US-6214991-B1 3-(4,5,7-TRIFLUOROBENZOTHIAZOL-2-YL)METHYL-INDOLE-N-ACETIC ACID, ETHYL ESTER FOR EXAMPLE; TREATING COMPLICATIONS OF DIABETES MELLITUS, SUCH AS CATARACTS, RETINOPATHY, NEPHROPATHY, AND NEUROPATHY THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. 2001-04-10 US disclosed
EP-1066283-A2 SUBSTITUTED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-01-10 EP disclosed
WO-2000032180-A2 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2000-06-08 WO disclosed
WO-1999050268-A2 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 1999-10-07 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 (3 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-20010016661-A1 Substituted indolealkanoic acids GPR119, AANAT, AADAT HPGD 648/4885MAPT 4218/4885PKM 2637/4885
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE HPGD 272/4885MAPT 3342/4885PKM 2696/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP HPGD 761/4885MAPT 4128/4885PKM 137/4885

“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.