SCHEMBL31044907

SCHEMBL31044907

COc1nc(NCCCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c2cc(C)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PTGDR Q13258 5/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL31044875 0.91 KCNH2 (0.39) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL29992172 0.90 KCNH2 (0.38) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL31044939 0.89 KCNH2 (0.41) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL31044854 0.89 KCNH2 (0.41) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL31045174 0.88 KCNH2 (0.40) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL29990942 0.88 KCNH2 (0.40) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL31045084 0.88 KCNH2 (0.40) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL31045139 0.87 KCNH2 (0.39) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL31044809 0.87 KCNH2 (0.40) CNR2NPC1RAB9AGALR3NR2F2
SCHEMBL31045078 0.87 KCNH2 (0.40) CNR2NPC1RAB9AGALR3NR2F2

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 CNR2 3384/4885NPC1 626/4885RAB9A 1838/4885

“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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