SCHEMBL4873878

SCHEMBL4873878

S=c1cc(-c2cnccn2)ss1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HSP90AA1 P07900 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
ADORA3 P0DMS8 1/20 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
SCHEMBL4828821 0.79 ADORA3 (0.51) CYP1A2MEN1PGRADRB2ADORA3
SCHEMBL11534048 0.77 CYP1A2 (0.39) CYP1A2HDAC1HDAC8HDAC6HSP90AA1
SCHEMBL11719048 0.73 HSP90AA1 (0.36) CYP1A2HDAC1HDAC8HDAC6HSP90AA1
SCHEMBL11719045 0.73 HSP90AA1 (0.36) CYP1A2HDAC1HDAC8HDAC6HSP90AA1
SCHEMBL11720581 0.72 MEN1 (0.36) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL17849760 0.69 CYP2A6 (0.52) CYP1A2HDAC1HDAC8HDAC6HDAC3
SCHEMBL29454745 0.68 NISCH (0.50) CYP1A2HSP90AA1NISCHADORA3MC3R
SCHEMBL78566 0.68 NISCH (0.50) CYP1A2HSP90AA1NISCHADORA3MC3R
SCHEMBL29598957 0.68 NISCH (0.50) CYP1A2HSP90AA1NISCHADORA3MC3R
SCHEMBL11716552 0.67 MEN1 (0.42) HDAC1HDAC8HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452884-B2 Methods for inhibiting angiogenesis FOX CHASE CANCER CENTER (US) 2008-11-18 US claimed
US-7199122-B2 Methods for inhibiting angiogenesis FOX CHASE CANCER CENTER (US) 2007-04-03 US claimed
US-20070015765-A1 Novel methods for inhibiting angiogenesis THE INSTITUTE FOR CANCER RESEARCH 2007-01-18 US claimed
US-4058611-A PYRAZINYL, BILHARZIASIS, AMOEBIASIS RHONE-POULENC INDUSTRIES (FR) 1977-11-15 US claimed
US-20230255961-A1 Rotomeric Isomers of 4-Alkyl-5-Heteroaryl-3H-1,2-Dithiole-3-Thiones ZPNE GROUP GMBH (CH) 2023-08-17 US disclosed
CN-113694068-A Rotamers of 4-alkyl-5-heteroaryl-3H-1, 2-dithiole-3-thiones ST知识产权控股公司 2021-11-26 CN disclosed
WO-2021186244-A1 ROTOMERIC ISOMERS OF 4-ALKYL-5-HETEROARYL-3H-1,2-DITHIOLE-3-THIONES ST IP HOLDING AG (CH) 2021-09-23 WO disclosed
EP-3853223-A1 ROTOMERIC ISOMERS OF 4-ALKYL-5-HETEROARYL-3H-1,2- DITHIOLE-3-THIONES ST IP Holding AG (CH) 2021-07-28 EP disclosed
CN-113166127-A Rotamers of 4-alkyl-5-heteroaryl-3H-1, 2-dithiole-3-thiones ST知识产权控股公司 2021-07-23 CN disclosed
US-20210206751-A1 Rotomeric Isomers of 4-alkyl-5-Heteroaryl-3H-1,2-Dithiole-3-Thiones SUPPORTIVE THERAPEUTICS AG (CH) 2021-07-08 US disclosed
WO-2020058767-A1 ROTOMERIC ISOMERS OF 4-ALKYL-5-HETEROARYL-3H-1,2- DITHIOLE-3-THIONES ST IP HOLDING AG (CH) 2020-03-26 WO disclosed
US-9370504-B2 Pharmaceutical composition containing 1,2-dithiolthione derivative for preventing or treating disease caused by overexpression of LXR-α SNU R&DB FOUNDATION (KR) 2016-06-21 US disclosed
WO-2008027013-A2 COMBINATION OF MTOR ANTAGONIST AND ANGIOGENESIS INHIBITOR FOR THE TREATMENT OF CANCER NATIONAL CANCER CENTRE (SG) 2008-03-06 WO disclosed
US-4058611-A PYRAZINYL, BILHARZIASIS, AMOEBIASIS RHONE-POULENC INDUSTRIES (FR) 1977-11-15 US 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 (1 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-20070015765-A1 Novel methods for inhibiting angiogenesis TEK, TXNRD3, FLT4 CYP1A2 3764/4885HDAC1 1022/4885HDAC8 2610/4885

“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.