SCHEMBL31428653

SCHEMBL31428653

Cc1nc2ccc(/C=C\C(=O)O)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.54
▸ ATM Q13315 1/20 0.53
▸ LDHA P00338 2/20 0.50
▸ TDP1 Q9NUW8 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ IP6K1 Q92551 1/20 0.45
▸ IP6K3 Q96PC2 1/20 0.45
▸ IP6K2 Q9UHH9 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ AKR1B10 O60218 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
SCHEMBL26634012 1.00 ESR1 (0.54) ESR1ATMLDHATDP1ALDH1A1
SCHEMBL26634041 0.88 ESR1 (0.63) ESR1ATMTDP1ALDH1A1SMN1; SMN2
SCHEMBL31428564 0.88 ESR1 (0.63) ESR1ATMTDP1ALDH1A1SMN1; SMN2
SCHEMBL2706287 0.85 TTR (0.51) ATMLDHATDP1ALDH1A1SMN1; SMN2
SCHEMBL2706281 0.85 TTR (0.51) ATMLDHATDP1ALDH1A1SMN1; SMN2
SCHEMBL30634292 0.82 TTR (0.56) ESR1LDHATDP1ALDH1A1SMN1; SMN2
SCHEMBL4533808 0.78 SMN1; SMN2 (0.56) LDHATDP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL31428688 0.78 RAB9A (0.55) TDP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27850061 0.76 LDHA (0.47) LDHATDP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2706803 0.76 CYP4F2 (0.47) LDHATDP1ALDH1A1SMN1; SMN2NPC1

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 — — 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS ESR1 2306/4885ATM 1432/4885LDHA 4464/4885

“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.

Send feedback