SCHEMBL4031173

SCHEMBL4031173

CCCCCc1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)[nH]c2ccc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.37
MC4R P32245 1/20 0.36
HTR6 P50406 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
PTPN1 P18031 2/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL4020530 0.91 HTR6 (0.40) HTR6PTPN1PDE10A
SCHEMBL6579756 0.76 PTPN1 (0.49) PTPN1SMN1; SMN2HTTTP53
SCHEMBL4023445 0.75 PSEN1 (0.45) MTNR1AMTNR1B
SCHEMBL4024325 0.75 PSEN1 (0.42) PTPN1LMNASMN1; SMN2TLR7TP53
SCHEMBL4024327 0.74 PTPN1 (0.44) PTPN1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL4026345 0.74 PSEN1 (0.41) PTPN1SMN1; SMN2TLR7
SCHEMBL5352174 0.73 RXFP1 (0.47) LMNASMN1; SMN2TP53NCEH1
SCHEMBL4027205 0.72 PTPN1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3852376 0.71 PPARG (0.55) CXCR2MC4RHTR6TUBB4ATUBB
SCHEMBL4027251 0.71 PTPN1 (0.47) HTR6PTPN1

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-7629377-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2009-12-08 US disclosed
EP-1397356-B1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2009-05-13 EP disclosed
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2008-07-31 US disclosed
US-7351730-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2008-04-01 US disclosed
US-20060014725-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2006-01-19 US disclosed
US-6939886-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) WYETH (US) 2005-09-06 US disclosed
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) WYETH 2004-12-30 US disclosed
US-6800654-B2 FOR TREATING CONDITIONS RESULTING FROM FIBRINOLYTIC DISORDERS SUCH AS DEEP VEIN THROMBOSIS AND CORONARY HEART DISEASE, AND PULMONARY FIBROSIS. WYETH 2004-10-05 US disclosed
EP-1397356-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-02-13 US disclosed
WO-2003000684-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 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-20060014725-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, F12 CXCR2 3295/4885MC4R 1778/4885HTR6 368/4885
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) TFPI, SERPINE1, F12 CXCR2 2602/4885MC4R 2002/4885HTR6 437/4885
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 CXCR2 3844/4885MC4R 2332/4885HTR6 145/4885
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 CXCR2 3768/4885MC4R 2319/4885HTR6 138/4885

“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.