SCHEMBL31044980

SCHEMBL31044980

Cc1cc2c(NCCCc3ccc(-c4ccc(OC(F)(F)F)cn4)cc3)nc(-c3ccon3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ KCNH2 Q12809 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ SCN10A Q9Y5Y9 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ ACP1 P24666 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
SCHEMBL31044670 0.93 KCNH2 (0.37) CYP2C9CYP2C19CYP3A4KCNH2RAB9A
SCHEMBL31045068 0.92 NPC1 (0.35) CYP2C9CYP2C19CYP3A4KCNH2RAB9A
SCHEMBL31044954 0.90 MCHR1 (0.34) KCNH2RAB9ANPC1GALR3NR2F2
SCHEMBL31045314 0.88 CYP3A4 (0.37) CYP2C9CYP2C19CYP3A4KCNH2RAB9A
SCHEMBL31044917 0.85 CYP3A4 (0.36) CYP2C9CYP2C19CYP3A4KCNH2RAB9A
SCHEMBL31044928 0.85 RAB9A (0.35) CYP2C9CYP2C19CYP3A4KCNH2RAB9A
SCHEMBL31044674 0.84 MCHR1 (0.38) KCNH2RAB9ANPC1GALR3NR2F2
SCHEMBL31045149 0.82 KCNH2 (0.36) CYP2C9CYP2C19CYP3A4KCNH2RAB9A
SCHEMBL31044854 0.82 KCNH2 (0.41) CYP3A4KCNH2RAB9ANPC1GALR3
SCHEMBL31045035 0.81 GBA1 (0.39) CYP2C19CYP2D6CYP1A2ADORA2AADORA1

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 CYP2C9 2771/4885CYP2C19 3009/4885CYP3A4 1533/4885

“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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