SCHEMBL7224326

SCHEMBL7224326

Cc1cc(N)cc(C)c1SC#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.39
USP8 P40818 1/20 0.39
USP5 P45974 1/20 0.39
USP4 Q13107 1/20 0.39
USP7 Q93009 1/20 0.39
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
PDE10A Q9Y233 1/20 0.32
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP1 P29466 1/20 0.30

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
SCHEMBL3411697 0.81 AR (0.39) ALDH1A1MAPTHTTUSP2USP8
SCHEMBL16707448 0.79 ALDH1A1 (0.52) ALDH1A1MAPTHTTUSP2USP8
SCHEMBL4677321 0.77 CYP3A4 (0.41) ALDH1A1MAPTHTTUSP2USP8
SCHEMBL16707446 0.73 ALDH1A1 (0.38) ALDH1A1MAPTHTTUSP2USP8
SCHEMBL16707458 0.71 TSHR (0.41) ALDH1A1MAPTHTTTSHR
SCHEMBL16707508 0.71 ALDH1A1 (0.40) ALDH1A1MAPTHTTUSP2USP8
SCHEMBL7624581 0.70 ALDH1A1 (0.38) ALDH1A1MAPTHTTUSP2USP8
SCHEMBL16707460 0.70 USP2 (0.36) ALDH1A1MAPTHTTUSP2USP8
SCHEMBL21396282 0.69 APP (0.43) ALDH1A1MAPTTSHRKDM4ENPC1
SCHEMBL21577619 0.69 ALDH1A1 (0.42) ALDH1A1MYCWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors COLLONGES FRANCOIS (FR) 2003-10-30 US disclosed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 US disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP 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-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors AKR1B1, ALDOA, AKR1C1 ALDH1A1 48/4885MAPT 121/4885HTT 1934/4885

“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.