SCHEMBL7679532

SCHEMBL7679532

O=C1C(=Cc2ccccc2)c2ccccc2N1c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
MAPT P10636 5/20 0.48
APP P05067 3/20 0.48
SNCA P37840 3/20 0.48
HSD17B10 Q99714 1/20 0.48
HCRTR1 O43613 1/20 0.46
AKR1C3 P42330 1/20 0.41
ERBB2 P04626 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
AGTR1 P30556 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7679531 1.00 TRPA1 (0.50) TRPA1MAPTAPPSNCAHSD17B10
SCHEMBL7676746 0.80 APP (0.53) TRPA1MAPTAPPSNCAHSD17B10
SCHEMBL28199867 0.79 HSD17B10 (0.56) TRPA1MAPTHSD17B10AKR1C3LMNA
SCHEMBL7672585 0.79 APP (0.52) TRPA1MAPTAPPSNCAHSD17B10
SCHEMBL7672581 0.79 APP (0.52) TRPA1MAPTAPPSNCAHSD17B10
SCHEMBL7673568 0.77 MAPT (0.51) TRPA1MAPTAPPSNCAHSD17B10
SCHEMBL7673575 0.77 MAPT (0.51) TRPA1MAPTAPPSNCAHSD17B10
SCHEMBL7678890 0.76 APP (0.75) MAPTAPPSNCAHCRTR1ERBB2
SCHEMBL7678889 0.76 APP (0.75) MAPTAPPSNCAHCRTR1ERBB2
SCHEMBL7678126 0.74 MAPT (0.50) TRPA1MAPTAPPSNCAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia OSI PHARMACEUTICALS, INC. 2002-03-07 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-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia TP53, MYC, VHL TRPA1 4356/4885MAPT 2381/4885APP 4305/4885

“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.