SCHEMBL31701598

SCHEMBL31701598

O=C(Nc1ccc(Sc2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ HSPD1 P10809 2/20 0.55
▸ HSPE1 P61604 2/20 0.55
▸ CTSD P07339 1/20 0.53
▸ DDIT3 P35638 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL31701749 0.85 CTSD (0.60) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4918045 0.80 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL24118880 0.78 SMN1; SMN2 (0.67) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14580959 0.77 MAPT (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2732885 0.76 HSPD1 (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL24290767 0.75 KMT2A (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL28760799 0.75 MAPT (0.63) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL29612954 0.75 MAPT (0.63) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL16689142 0.75 NPC1 (0.70) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL24118814 0.75 HSPD1 (0.75) RAB9ANPC1MEN1KMT2AMAPT

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-20250319056-A1 METHODS FOR TREATING CANCER UNIV INDIANA TRUSTEES (US) 2025-10-16 — — 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-20250319056-A1 METHODS FOR TREATING CANCER HSP90AB1, HSP90B1, HSP90AB2P RAB9A 3393/4885NPC1 577/4885MEN1 3973/4885

“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.

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