SCHEMBL4410865

SCHEMBL4410865

[c]1ccc(-c2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2E1 P05181 2/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2B6 P20813 2/20 0.33
MAOA P21397 1/20 0.33
NQO2 P16083 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL385688 0.95 ALDH1A1 (0.38) ALDH1A1MEN1RAB9AKMT2APOLB
SCHEMBL10717926 0.85 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL10472381 0.84 CYP2A6 (0.31) CYP2A6CYP2B6
SCHEMBL9696786 0.84 CYP1A2 (0.32) CYP1A2CYP2A6
SCHEMBL10470838 0.81 HSD17B1 (0.46) ALDH1A1MEN1RAB9AKMT2APOLB
SCHEMBL10470556 0.81 ALOX5 (0.32) ALOX5
SCHEMBL10472981 0.79 APP (0.36) ALDH1A1CYP3A4CYP2E1CYP2A6CYP2B6
SCHEMBL1416461 0.77 ACHE (0.36) ALDH1A1RAB9AKMT2APOLBMAPK1
SCHEMBL195957 0.77 ESR1 (0.50) ALDH1A1MEN1RAB9AKMT2APOLB
SCHEMBL208889 0.77 CYP1A2 (0.37) ALDH1A1MEN1RAB9AKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663976-B1 4-PYRIDINYLMETHYL SULFONAMIDE DERIVATIVES AS FUNGICIDAL PLANT PROTECTION AGENTS BASF SE (DE) 2009-12-30 EP disclosed
US-20080221177-A1 4- PIRIDINYLMETHYLSULPHONAMIDE DERIVATIVE AS FUNGICIDAL PLANT PROTECTION AGENTS GRAMMENOS WASSILIOS 2008-09-11 US disclosed
US-7388018-B2 4-Piridinylmethylsulphonamide derivatives as fungicidal plant protein agents BASF AKTIENGESELLSCHAFT (DE) 2008-06-17 US disclosed
US-20060293314-A1 4- Piridinylmethylsulphonamide derivatives as fungicidal plant protein agents BASF AKTIENGESELLSCHAFT (DE) 2006-12-28 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 (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-20080221177-A1 4- PIRIDINYLMETHYLSULPHONAMIDE DERIVATIVE AS FUNGICIDAL PLANT PROTECTION AGENTS CBR3, CBR1, PIR ALDH1A1 1838/4885MEN1 4754/4885RAB9A 965/4885
US-20060293314-A1 4- Piridinylmethylsulphonamide derivatives as fungicidal plant protein agents CBR3, CBR1, HEATR1 ALDH1A1 3486/4885MEN1 4849/4885RAB9A 1120/4885

“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.