SCHEMBL3045482

SCHEMBL3045482

O=[N+]([O-])c1ccc(Oc2cc[c]cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.63
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 3/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MYOC Q99972 1/20 0.54
ALDH1A1 P00352 4/20 0.53
SRD5A2 P31213 1/20 0.53
KDM4E B2RXH2 1/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL11689190 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL2011179 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL9183872 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.85 HSPB1 (0.76) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL311582 0.81 KMT2A (0.73) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL3208134 0.81 HSPB1 (0.70) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL28051442 0.81 HSPB1 (0.70) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL27680824 0.80 HSPB1 (0.54) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL10840704 0.80 ALDH1A1 (0.54) KMT2AMEN1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523292-B1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-15 EP claimed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US claimed
US-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-02-09 US claimed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 US claimed
EP-3523292-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS Dong-A Socio Holdings Co., Ltd. (KR) 2019-08-14 EP claimed
WO-2018071343-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-04-19 WO claimed
CN-105130951-B Chiral ND 322, ND 364 or the sulfoxide analogs of ND 364 and preparation method thereof 山东大学 2018-01-12 CN claimed
CN-106631834-A Method for preparing 2,2-bis[4-(4-aminophenoxy)phenyl] propane 自贡中天胜新材料科技有限公司 2017-05-10 CN claimed
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation BIOLIPOX AB (SE) 2011-12-01 US claimed
WO-2010029300-A1 BIS AROMATIC COMPOUNDS FOR USE IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-03-18 WO claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
EP-0403618-B2 METHYL ESTERS OF ALDIMINO- OR KETIMINO-OXY-ORTHO-TOLYLACRYLIC ACID, MANUFACTURING PROCESS AND FUNGICIDES CONTAINING THEM BAYER AG (DE) 2004-04-28 EP claimed
WO-2004017966-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS IN THE TREATMENT OF CHRONIC AND ACUTE PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
EP-0058373-A1 Substituted aliphatic secondary amines and their salts, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1982-08-25 EP claimed
US-4161534-A ANTHELMINTICS CIBA-GEIGY CORPORATION (US) 1979-07-17 US claimed
US-4064265-A ANTHELMINTICS CIBA-GEIGY CORPORATION (US) 1977-12-20 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 HSPB1 3186/4885KMT2A 3655/4885MEN1 1372/4885
US-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB4 HSPB1 3904/4885KMT2A 2209/4885MEN1 361/4885
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 HSPB1 3904/4885KMT2A 2209/4885MEN1 361/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 HSPB1 4096/4885KMT2A 2442/4885MEN1 379/4885
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R HSPB1 2347/4885KMT2A 3724/4885MEN1 4133/4885

“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.