SCHEMBL25280362

SCHEMBL25280362

COC(=O)c1cc2nc(C(F)(F)F)sc2cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 1/20 0.38
SCD O00767 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DYRK1A Q13627 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
SCHEMBL30457771 1.00 GAA (0.40) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL25232489 0.83 MAPT (0.52) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL30457588 0.83 MAPT (0.52) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL25233286 0.80 CFTR (0.49) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL30457719 0.80 CFTR (0.49) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL2934012 0.76 TUBB4A (0.45) KMT2AALDH1A1SMN1; SMN2SIRT6MAPT
SCHEMBL8173577 0.74 SIRT6 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL25234075 0.72 HTT (0.50) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL30458112 0.72 HTT (0.50) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL2597417 0.70 CFTR (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2SIRT6

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-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-27 US disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO 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-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS RXFP1, RXFP2, RXFP3 GAA 2824/4885KMT2A 4132/4885MEN1 3809/4885

“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.