SCHEMBL19699121

SCHEMBL19699121

COc1ccc2sc(C)nc2c1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL27558629 0.84 MAPT (0.48) MAPTTSHRRAB9ANPC1ALOX15
SCHEMBL14776689 0.84 MAPT (0.41) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL16762217 0.82 MAPT (0.47) MAPTTSHRRAB9ANPC1ALOX15
SCHEMBL2089912 0.80 HSD17B10 (0.44) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL2398385 0.78 KMT2A (0.49) MAPTTSHRRAB9ANPC1ALOX15
SCHEMBL3123406 0.78 ALDH1A1 (0.67) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL12930243 0.77 NPC1 (0.57) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL12109863 0.76 NPC1 (0.49) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL9299954 0.75 RAB9A (0.53) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL23482163 0.73 NPC1 (0.46) MAPTTSHRRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2018-07-10 US disclosed
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2017-12-14 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-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT MAPT 174/4885TSHR 4290/4885RAB9A 2200/4885
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor VHL, TP53, COMT MAPT 174/4885TSHR 4290/4885RAB9A 2200/4885

“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.