SCHEMBL4734401

SCHEMBL4734401

O=C(Cl)c1csc(-c2cccnc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.70
IRAK4 Q9NWZ3 8/20 0.67
TLR7 Q9NYK1 1/20 0.66
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
CYP19A1 P11511 3/20 0.62
AXL P30530 1/20 0.62
PBRM1 Q86U86 1/20 0.62
MKNK1 Q9BUB5 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
HDAC2 Q92769 1/20 0.61
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
CYP2E1 P05181 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL28784680 0.88 HDAC6 (0.74) HDAC6IRAK4TLR7RAB9ANPC1
SCHEMBL31351012 0.86 HDAC6 (0.72) HDAC6IRAK4TLR7RAB9ANPC1
SCHEMBL369871 0.86 HDAC6 (0.72) HDAC6IRAK4TLR7RAB9ANPC1
SCHEMBL1812154 0.85 HDAC6 (0.70) HDAC6IRAK4TLR7RAB9ANPC1
SCHEMBL13602299 0.85 HDAC6 (0.70) HDAC6IRAK4TLR7RAB9ANPC1
SCHEMBL31350948 0.85 HDAC6 (0.70) HDAC6IRAK4TLR7RAB9ANPC1
Hydrochloric Acid SCHEMBL5009761 0.84 HDAC6 (0.68) HDAC6IRAK4TLR7RAB9ANPC1
SCHEMBL24755152 0.82 HDAC6 (1.00) HDAC6IRAK4TLR7RAB9ANPC1
SCHEMBL4735788 0.82 HPGD (0.64) HDAC6TLR7RAB9ANPC1MAPK1
SCHEMBL168291 0.82 TDP1 (0.67) HDAC6IRAK4TLR7RAB9ANPC1

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
WO-2016166250-A1 QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS QURIENT CO., LTD (KR) 2016-10-20 WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP disclosed
CN-1146542-C Benzamide derivatives and their use as cytokine inhibitors 2004-04-21 CN disclosed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed
US-5696112-A TREATMENT OF CONGESTIVE HEART FAILURE, CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 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 (2 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HDAC6 2209/4885IRAK4 1458/4885TLR7 428/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HDAC6 2209/4885IRAK4 1458/4885TLR7 428/4885

“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.