SCHEMBL4742547

SCHEMBL4742547

Oc1cccc(Nc2nc(-c3ccccc3)cs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 1.00
VCP P55072 2/20 0.72
AMY1A P0DUB6 2/20 0.72
MBD2 Q9UBB5 1/20 0.70
MEN1 O00255 5/20 0.65
NPC1 O15118 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 3/20 0.65
POLB P06746 1/20 0.65
CYP1A2 P05177 2/20 0.63
CYP1A1 P04798 1/20 0.63
CYP1B1 Q16678 1/20 0.63
AGER Q15109 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
PKM P14618 1/20 0.62

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
SCHEMBL486534 0.90 ALOX5 (0.82) ALOX5VCPAMY1AMBD2MEN1
SCHEMBL7114964 0.88 ALOX5 (1.00) ALOX5VCPAMY1AMBD2MEN1
SCHEMBL1822611 0.85 SMN1; SMN2 (0.84) ALOX5VCPAMY1AMEN1NPC1
SCHEMBL7115473 0.84 ALOX5 (0.73) ALOX5VCPAMY1AMBD2MEN1
SCHEMBL1822783 0.84 ALOX5 (1.00) ALOX5VCPAMY1AMEN1NPC1
SCHEMBL23742626 0.83 CYP1A1 (0.88) ALOX5VCPAMY1AMEN1NPC1
SCHEMBL6798095 0.83 ALOX5 (0.71) ALOX5VCPAMY1AMEN1NPC1
SCHEMBL13224426 0.82 ALOX5 (0.70) ALOX5VCPAMY1AMBD2MEN1
SCHEMBL29737068 0.82 CSNK2A1 (0.80) ALOX5MEN1NPC1KMT2AMAPT
SCHEMBL28482021 0.82 CSNK2A1 (0.80) ALOX5MEN1NPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US claimed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US claimed
CN-103957908-A Substituted aminothiazoles as inhibitors of cancer including hepatocellular carcinoma and as inhibitors of hepatitis virus replication INST HEPATITIS & VIRUS RES 2014-07-30 CN claimed
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO claimed
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US disclosed
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US disclosed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US disclosed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US disclosed
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 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-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HCCS, BCAT1, AADAT ALOX5 2655/4885VCP 2673/4885AMY1A 4524/4885
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HDGF, HCCS, BCAT1 ALOX5 3197/4885VCP 2801/4885AMY1A 4763/4885

“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.