SCHEMBL31044864

SCHEMBL31044864

C=Cc1nc(NCCCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c2cc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ NPC1 O15118 1/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PPARA Q07869 3/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ WNT3A P56704 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ SYK P43405 1/20 0.31

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
SCHEMBL31044939 0.88 KCNH2 (0.41) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31044854 0.87 KCNH2 (0.41) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31045174 0.86 KCNH2 (0.40) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL29990942 0.86 KCNH2 (0.40) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31045084 0.86 KCNH2 (0.40) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31045078 0.85 KCNH2 (0.40) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31044907 0.85 CNR2 (0.43) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31044809 0.85 KCNH2 (0.40) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31044739 0.85 KCNH2 (0.38) KCNH2NPC1GALR3NR2F2RAB9A
SCHEMBL31044882 0.84 FLT3 (0.44) KCNH2NPC1GALR3NR2F2RAB9A

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 4421/4885NPC1 626/4885GALR3 4159/4885

“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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