SCHEMBL31044882

SCHEMBL31044882

Cc1cc2c(NCCCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nc(-c3ccc(F)cc3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.44
▸ KCNH2 Q12809 1/20 0.39
▸ PRKCI P41743 3/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL31045183 0.99 FLT3 (0.45) FLT3KCNH2PRKCICNR2PPARA
SCHEMBL31044854 0.97 KCNH2 (0.41) FLT3KCNH2PRKCICNR2CHRNA7
SCHEMBL31045188 0.89 CYP3A4 (0.39) FLT3KCNH2PRKCICNR2ALDH1A1
SCHEMBL31044788 0.89 KCNH2 (0.37) FLT3KCNH2PRKCICNR2CHRNA7
SCHEMBL31044828 0.89 CNR2 (0.39) FLT3KCNH2PRKCICNR2NPC1
SCHEMBL31044939 0.89 KCNH2 (0.41) KCNH2CNR2PPARAALDH1A1CHRNA7
SCHEMBL31044816 0.88 KCNH2 (0.36) FLT3KCNH2PRKCICNR2ALDH1A1
SCHEMBL31045084 0.87 KCNH2 (0.40) KCNH2CNR2PPARACHRNA7NPC1
SCHEMBL31045174 0.87 KCNH2 (0.40) KCNH2CNR2PPARANPC1GALR3
SCHEMBL29990942 0.87 KCNH2 (0.40) KCNH2CNR2PPARANPC1GALR3

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 — — 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 FLT3 3128/4885KCNH2 4421/4885PRKCI 2392/4885

“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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