SCHEMBL4814742

SCHEMBL4814742

Clc1cccc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
AHR P35869 3/20 0.63
NR4A2 P43354 2/20 0.63
F7 P08709 1/20 0.63
LTA4H P09960 1/20 0.63
F3 P13726 1/20 0.63
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CMA1 P23946 1/20 0.48
PGR P06401 2/20 0.47
JAK2 O60674 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL5664020 0.86 AHR (0.63) NPC1AHRNR4A2F7LTA4H
SCHEMBL4486564 0.83 AHR (0.70) NPC1AHRNR4A2F7LTA4H
SCHEMBL5850255 0.82 NPC1 (0.79) NPC1AHRNR4A2F7LTA4H
SCHEMBL446619 0.81 NPC1 (1.00) NPC1AHRNR4A2F7LTA4H
SCHEMBL30587350 0.81 NPC1 (1.00) NPC1AHRNR4A2F7LTA4H
Biphenyl SCHEMBL27962663 0.80 AHR (0.78) NPC1AHRNR4A2F7LTA4H
SCHEMBL15864283 0.80 PIK3CD (0.45) NPC1AHRNR4A2F7LTA4H
SCHEMBL28210414 0.79 NPC1 (0.96) NPC1AHRNR4A2F7LTA4H
SCHEMBL9231655 0.79 NPC1 (0.68) NPC1AHRNR4A2F7LTA4H
SCHEMBL980348 0.79 NPC1 (0.68) NPC1AHRNR4A2F7LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119822910-A Method for catalyzing heterogeneous reduction of nitrogen-containing heterocyclic compound by using magnesium metal 延安大学 2025-04-15 CN disclosed
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
US-7348351-B2 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-03-25 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
EP-1569899-B1 SUBSTITUTED 3-ALKYL- AND 3-ARYLALKYL-1H-INDOL-1-YL-ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2006-06-28 EP disclosed
CN-1723197-A Substituted 3-alkyl and 3-arylalkyl 1h-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH CORP (US) 2006-01-18 CN disclosed
EP-1569899-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL i 1H /i -INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
WO-2004052853-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL 1H-INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO disclosed
US-20040116488-A1 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2004-06-17 US disclosed
EP-1397130-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 US disclosed
WO-2003000253-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-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 (3 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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 NPC1 1911/4885AHR 32/4885NR4A2 2754/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 NPC1 1901/4885AHR 33/4885NR4A2 2759/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT NPC1 1403/4885AHR 44/4885NR4A2 2869/4885

“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.