SCHEMBL3678660

SCHEMBL3678660

Cc1ccc(S)c(N)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NOS3 P29474 3/20 0.36
NOS2 P35228 3/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.33
CASP1 P29466 2/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
CD44 P16070 1/20 0.33
NOS1 P29475 1/20 0.32
CYP3A4 P08684 4/20 0.32
TSHR P16473 4/20 0.32
PIK3CA P42336 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7076223 0.79 POLB (0.39) POLBNOS3NOS2ALDH1A1TDP1
SCHEMBL8778122 0.79 POLB (0.56) POLBNOS3NOS2ALDH1A1TDP1
SCHEMBL394750 0.77 POLB (0.68) POLBNOS3NOS2ALDH1A1TDP1
SCHEMBL20855144 0.75 POLB (0.31) POLB
SCHEMBL577349 0.75 PSMD14 (0.37) POLBALDH1A1PSMD14COPS5TSHR
SCHEMBL7980066 0.74 CYP3A4 (0.46) POLBNOS3NOS2ALDH1A1TDP1
SCHEMBL3080081 0.74 POLB (0.44) POLBNOS3NOS2ALDH1A1TDP1
SCHEMBL29670933 0.73 MEN1 (0.33) MAPTMEN1KMT2A
SCHEMBL10054269 0.73 MEN1 (0.33) MAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL10002546 0.72 PSMD14 (0.35) POLBPSMD14COPS5TSHRCYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
US-6583138-B1 Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa EISAI CO., LTD. (JP) 2003-06-24 US disclosed
EP-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
US-4064136-A FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE CIBA-GEIGY AG (CH) 1977-12-20 US disclosed
US-3972890-A ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US 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 (1 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 POLB 2855/4885NOS3 2094/4885NOS2 817/4885

“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.