SCHEMBL4936256

SCHEMBL4936256

O=C(Nc1csnc1C(=O)Nc1ccc(N2CCNCC2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPKAPK2 P49137 4/20 0.46
MT-CO2 P00403 1/20 0.46
DGAT1 O75907 1/20 0.45

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
SCHEMBL14114411 0.85 MT-CO2 (0.52) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL532678 0.84 MAPT (0.74) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4932310 0.80 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5084566 0.79 USP2 (0.66) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL24891825 0.78 RAB9A (0.64) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL24891707 0.76 NPC1 (0.64) MAPTNPC1RAB9ASMN1; SMN2TP53
Trifluoroacetic Acid SCHEMBL29803762 0.75 RAB9A (0.56) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14114416 0.74 MAPKAPK2 (0.48) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1663115 0.74 ALDH1A1 (0.66) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8769785 0.74 RAB9A (0.59) MAPTNPC1RAB9ASMN1; SMN2TP53

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
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 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-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 MAPT 364/4885NPC1 1595/4885RAB9A 3089/4885

“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.