SCHEMBL31045084

SCHEMBL31045084

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ CHRNA7 P36544 2/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ APP P05067 2/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL31045186 0.97 CYP3A4 (0.41) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL31044939 0.90 KCNH2 (0.41) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL31044854 0.89 KCNH2 (0.41) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL29990942 0.89 KCNH2 (0.40) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL31045174 0.89 KCNH2 (0.40) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL31044907 0.88 CNR2 (0.43) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL31045078 0.88 KCNH2 (0.40) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL31044809 0.88 KCNH2 (0.40) KCNH2CYP3A4CNR2NPC1GALR3
SCHEMBL31045122 0.87 NPC1 (0.39) CYP3A4NPC1GALR3NR2F2RAB9A
SCHEMBL31044882 0.87 FLT3 (0.44) KCNH2CYP3A4CNR2NPC1GALR3

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 KCNH2 4421/4885CYP3A4 1533/4885CNR2 3384/4885

“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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