SCHEMBL8512213

SCHEMBL8512213

NC(=O)c1cccc(SBr)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.57
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP15 Q460N3 3/20 0.44
PARP10 Q53GL7 3/20 0.44
TNKS O95271 1/20 0.44
PARP14 Q460N5 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL28443286 0.83 HSD17B10 (0.67) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL18807057 0.83 PARP1 (0.57) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL29378080 0.83 HSD17B10 (0.67) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL8715629 0.82 HSD17B10 (0.70) HSD17B10CYP1A2CYP2C9HPGDTSHR
SCHEMBL1397499 0.80 PARP1 (0.57) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL27997107 0.80 PARP1 (0.57) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL27474390 0.80 PARP1 (0.57) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL27233624 0.79 PARP1 (0.56) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL5316870 0.78 PARP1 (0.56) PARP1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL31021028 0.78 PARP1 (0.73) PARP1HSD17B10TSHRPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283661-B1 PROCESS FOR LEACHING METAL SULFIDES WITH REAGENTS HAVING THIOCARBONYL FUNCTIONAL GROUPS JETTI RESOURCES LLC (US) 2024-06-05 EP claimed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 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-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PARP1 821/4885HSD17B10 2903/4885CYP1A2 811/4885

“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.