SCHEMBL20956735

SCHEMBL20956735

O=C(O)N1C[C@@H](F)C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 4/20 0.40
▸ KCNMA1 Q12791 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ MAPT P10636 7/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23119916 1.00 HCAR3 (0.40) HCAR3KCNMA1L3MBTL1MAPK1MAPT
SCHEMBL23119912 0.89 HCAR3 (0.40) HCAR3KCNMA1L3MBTL1MAPK1MAPT
SCHEMBL19540705 0.85 MAPT (0.39) KCNMA1L3MBTL1MAPK1MAPTTDP1
SCHEMBL20956857 0.82 HDAC1 (0.40) —
SCHEMBL20956830 0.82 HDAC1 (0.40) —
SCHEMBL20956856 0.82 HDAC1 (0.40) —
SCHEMBL20956800 0.82 HCAR3 (0.45) HCAR3KCNMA1L3MBTL1MAPK1MAPT
SCHEMBL20956752 0.80 L3MBTL1 (0.40) HCAR3KCNMA1L3MBTL1MAPK1MAPT
SCHEMBL20956754 0.80 L3MBTL1 (0.40) HCAR3KCNMA1L3MBTL1MAPK1MAPT
SCHEMBL20956804 0.80 HCAR3 (0.39) HCAR3KCNMA1L3MBTL1MAPK1MAPT

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-20190135794-A1 BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST MEDSHINE DISCOVERY INC. (CN) 2019-05-09 — — 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-20190135794-A1 BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST BIRC2, BIRC5, BIRC8 HCAR3 1457/4885KCNMA1 332/4885L3MBTL1 1897/4885

“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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