SCHEMBL5857412

SCHEMBL5857412

Cc1nc2cc(F)c(N)c(Cl)c2o1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.34
KCNA3 P22001 2/20 0.33
CBLB Q13191 1/20 0.32
ILK Q13418 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL5857988 0.83 NUDT1 (0.36) NUDT1KCNA3CBLBCYP3A4
SCHEMBL5858001 0.73 ESR1 (0.34)
SCHEMBL11593395 0.72 KCNA3 (0.36) NUDT1KCNA3
SCHEMBL23403715 0.70 NUDT1 (0.37) NUDT1KCNA3CBLBCYP3A4
SCHEMBL31487673 0.70 NUDT1 (0.34) NUDT1KCNA3CBLB
SCHEMBL27360214 0.69 NUDT1 (0.43) NUDT1KCNA3CBLB
SCHEMBL3195952 0.69 GABRP (0.39) NUDT1KCNA3CBLB
SCHEMBL11107332 0.69 NUDT1 (0.33) NUDT1KCNA3CBLB
SCHEMBL22308308 0.68 NUDT1 (0.42) NUDT1KCNA3CBLBCYP3A4
SCHEMBL17307548 0.68 CBLB (0.32) NUDT1KCNA3CBLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091361-B2 Compounds and synthesis process EASTMAN KODAK COMPANY (US) 2006-08-15 US disclosed
WO-2005047271-A1 PROCESS FOR THE SYNTHESIS OF 6-CHLORO-2,5-DICARBONAMIDOPHENOLS AND BENZOXAZOLE DERIVATIVES AS INTERMEDIATES EASTMAN KODAK COMPANY (US) 2005-05-26 WO disclosed
US-20050101784-A1 Compounds and synthesis process EASTMAN KODAK COMPANY 2005-05-12 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-20050101784-A1 Compounds and synthesis process CYP2B6, DDC, DAO NUDT1 650/4885KCNA3 3650/4885CBLB 572/4885

“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.