SCHEMBL25009255

SCHEMBL25009255

O=C(Nc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1)N1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
NAMPT P43490 16/20 0.54
ROCK2 O75116 5/20 0.54
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
TAS1R2 Q8TE23 3/20 0.50

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
SCHEMBL23416354 0.89 ROCK2 (0.55) NAMPTROCK2
SCHEMBL26573404 0.86 ALDH1A1 (0.49) NPC1RAB9ANAMPT
SCHEMBL23416116 0.86 NAMPT (0.49) NPC1RAB9ANAMPTROCK2TAS1R3
SCHEMBL17184350 0.78 NAMPT (0.56) NPC1RAB9ANAMPT
SCHEMBL9613309 0.77 TDP1 (0.67) NPC1RAB9A
SCHEMBL25011217 0.77 ROCK2 (0.52) NAMPTROCK2
SCHEMBL23416352 0.76 NAMPT (0.56) NAMPTROCK2
SCHEMBL23416012 0.74 NAMPT (0.50) NAMPT
SCHEMBL23416011 0.73 TGM2 (0.59) NAMPT
SCHEMBL23416016 0.73 NAMPT (0.52) NPC1RAB9ANAMPT

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-20230321086-A1 METHODS AND MATERIALS FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-10-12 US disclosed
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 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 (2 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-20230321086-A1 METHODS AND MATERIALS FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE ACTIVITY NAMPT, NNMT, NAPRT NPC1 615/4885RAB9A 2508/4885NAMPT 1/4885
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 NPC1 1530/4885RAB9A 2742/4885NAMPT 1186/4885

“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.