SCHEMBL1504425

SCHEMBL1504425

O=C(NNc1ccc(Cl)cc1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.58
ALDH1A1 P00352 8/20 0.55
GAA P10253 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 4/20 0.49
RAD51 Q06609 1/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL9553582 0.88 GAA (0.58) PTGS2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL9618331 0.84 PTGS2 (0.68) PTGS2ALDH1A1GAACYP3A4CYP2C19
SCHEMBL2829063 0.84 PTGS2 (0.68) PTGS2ALDH1A1GAACYP3A4CYP2C19
SCHEMBL27802288 0.83 FAAH (0.51) PTGS2ALDH1A1GAACYP3A4SMN1; SMN2
Phenyl 4-Chlorophenylcarbamate SCHEMBL6258165 0.83 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2TRPV1MAPT
SCHEMBL14108086 0.82 PTGS2 (0.65) PTGS2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL28109363 0.80 LMNA (0.49) ALDH1A1GAACYP3A4SMN1; SMN2TAAR1
SCHEMBL14108137 0.80 ALDH1A1 (0.49) PTGS2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL7154018 0.80 MGLL (0.46) ALDH1A1GAAMAPTRAD51KDM4E
SCHEMBL14153913 0.80 GAA (0.50) PTGS2ALDH1A1GAACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (8 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S PTGS2 3115/4885ALDH1A1 4310/4885GAA 4796/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL PTGS2 2146/4885ALDH1A1 3214/4885GAA 1144/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 PTGS2 1453/4885ALDH1A1 3430/4885GAA 4757/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R PTGS2 1854/4885ALDH1A1 3319/4885GAA 4788/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R PTGS2 1854/4885ALDH1A1 3319/4885GAA 4788/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PTGS2 1854/4885ALDH1A1 3319/4885GAA 4788/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 PTGS2 1584/4885ALDH1A1 793/4885GAA 2113/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PTGS2 1692/4885ALDH1A1 3734/4885GAA 4829/4885

“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.