SCHEMBL31667590

SCHEMBL31667590

COc1ccc(Cn2nncc2/C=C(\F)CBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
NPBWR1 P48145 4/20 0.38
MET P08581 1/20 0.36
ALOX15 P16050 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 3/20 0.36
HSP90AA1 P07900 1/20 0.36
MCHR1 Q99705 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CMA1 P23946 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE8B O95263 1/20 0.35

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
SCHEMBL31667305 0.89 TOP2A (0.40) TOP2ANPBWR1METALOX15L3MBTL1
SCHEMBL32686962 0.78 UCHL1 (0.45) TOP2ANPBWR1ALOX15L3MBTL1AKR1C3
SCHEMBL27840090 0.78 TOP2A (0.48) TOP2ANPBWR1ALOX15L3MBTL1MCHR1
SCHEMBL31285046 0.73 TOP2A (0.48) TOP2ANPBWR1METALOX15L3MBTL1
SCHEMBL18377688 0.71 ALDH1A1 (0.54) TOP2ANPBWR1ALOX15MCHR1CYP19A1
SCHEMBL30946374 0.71 TOP2A (0.52) TOP2ANPBWR1ALOX15MCHR1CYP19A1
SCHEMBL31284789 0.70 TOP2A (0.48) TOP2ANPBWR1METALOX15MCHR1
SCHEMBL13151306 0.69 TOP2A (0.47) TOP2ANPBWR1METALOX15L3MBTL1
SCHEMBL18367564 0.68 TOP2A (0.49) TOP2ANPBWR1METALOX15HSP90AA1
SCHEMBL4751007 0.68 TOP2A (0.46) TOP2ANPBWR1METALOX15MCHR1

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-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 US disclosed
EP-4590674-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-07-30 EP 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-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 TOP2A 3929/4885NPBWR1 128/4885MET 2688/4885

“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.