Sugi Predict

Sugi Predict / Compounds / SCHEMBL1503984

SCHEMBL1503984

SCHEMBL1503984

CCOC(=O)c1cc2cc(Cl)ccc2n1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.67
▸ NOD1 Q9Y239 1/20 0.67
▸ CCR2 P41597 12/20 0.61
▸ MAPT P10636 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ F10 P00742 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PTGS2 P35354 1/20 0.52

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
SCHEMBL3201430 0.92 NOD2 (0.63) NOD2NOD1CCR2MAPTTDP1
SCHEMBL8692295 0.88 NOD2 (0.58) NOD2NOD1CCR2MAPTTDP1
SCHEMBL6307843 0.88 NOD2 (0.74) NOD2NOD1CCR2MAPTTDP1
SCHEMBL4798323 0.87 NOD2 (0.85) NOD2NOD1CCR2MAPTTDP1
SCHEMBL4414074 0.87 NOD2 (0.65) NOD2NOD1CCR2MAPTTDP1
SCHEMBL6302610 0.86 NOD2 (0.84) NOD2NOD1CCR2MAPTTDP1
SCHEMBL2643537 0.86 CCR9 (0.60) NOD2NOD1CCR2MAPTTDP1
SCHEMBL8689838 0.86 ALDH1A1 (0.54) NOD2NOD1CCR2MAPTTDP1
SCHEMBL9622481 0.86 NOD2 (0.64) NOD2NOD1CCR2MAPTTDP1
SCHEMBL6782501 0.84 ABCB11 (0.58) NOD2NOD1CCR2MAPTTDP1

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 43 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
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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 — — 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
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-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 NOD2 998/4885NOD1 357/4885CCR2 722/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R NOD2 389/4885NOD1 182/4885CCR2 538/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R NOD2 389/4885NOD1 182/4885CCR2 538/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R NOD2 389/4885NOD1 182/4885CCR2 538/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R NOD2 389/4885NOD1 182/4885CCR2 538/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 NOD2 3035/4885NOD1 2422/4885CCR2 1156/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R NOD2 868/4885NOD1 1726/4885CCR2 557/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R NOD2 586/4885NOD1 266/4885CCR2 480/4885

“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.