SCHEMBL707113

SCHEMBL707113

Brc1ccc(NCCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.58
MGLL Q99685 1/20 0.53
TAAR1 Q96RJ0 2/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.47
KDM1A O60341 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 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
SCHEMBL9528217 0.92 L3MBTL1 (0.70) L3MBTL1RAB9ASMN1; SMN2MAPTMGLL
SCHEMBL11653014 0.89 L3MBTL1 (0.86) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1
SCHEMBL706218 0.89 L3MBTL1 (0.55) L3MBTL1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL24375975 0.85 L3MBTL1 (0.95) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1
SCHEMBL21186859 0.85 L3MBTL1 (0.95) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1
SCHEMBL88597 0.85 L3MBTL1 (0.95) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1
Hydrochloric Acid SCHEMBL8746161 0.83 L3MBTL1 (1.00) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1
SCHEMBL819106 0.82 L3MBTL1 (0.80) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1
SCHEMBL3910280 0.82 L3MBTL1 (0.73) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1
SCHEMBL24641654 0.82 L3MBTL1 (0.73) L3MBTL1RAB9ASMN1; SMN2MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
EP-0573548-A1 NEUROPROTECTANT AGENTS. AMERICAN HOME PROD (US) 1993-12-15 EP disclosed
WO-1992014813-A1 NEUROPROTECTANT AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 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 (4 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-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 L3MBTL1 1960/4885RAB9A 3477/4885SMN1; SMN2 92/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 L3MBTL1 1960/4885RAB9A 3477/4885SMN1; SMN2 92/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 L3MBTL1 194/4885RAB9A 3183/4885SMN1; SMN2 3745/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 L3MBTL1 3386/4885RAB9A 975/4885SMN1; SMN2 1992/4885

“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.