SCHEMBL31044715

SCHEMBL31044715

CCc1nc(NCCCc2cccc(OC(F)(F)F)c2)c2cc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.39
▸ SYK P43405 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ KCNN3 Q9UGI6 1/20 0.36
▸ KCNN4 O15554 2/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ CLK1 P49759 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
SCHEMBL31044845 0.95 SYK (0.41) PCSK9SYKRAB9ANPC1GALR3
SCHEMBL31045328 0.90 KCNH2 (0.39) PCSK9SYKRAB9ANPC1GALR3
SCHEMBL31044655 0.89 NPC1 (0.38) PCSK9RAB9ANPC1GALR3NR2F2
SCHEMBL31044982 0.87 ADRA2C (0.43) SYKCHRM1CHRM3RAB9ANPC1
SCHEMBL31045078 0.87 KCNH2 (0.40) PCSK9RAB9ANPC1GALR3NR2F2
SCHEMBL5423687 0.85 RAB9A (0.48) CHRM2CHRM1CHRM3RAB9ANPC1
SCHEMBL31044998 0.85 RAB9A (0.48) CHRM2CHRM1CHRM3RAB9ANPC1
SCHEMBL31044750 0.85 NPC1 (0.42) PCSK9RAB9ANPC1GALR3NR2F2
SCHEMBL31045203 0.84 NPC1 (0.41) RAB9ANPC1GALR3NR2F2
SCHEMBL20667986 0.84 TLR8 (0.41) —

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 PCSK9 1240/4885SYK 1879/4885CHRM2 1815/4885

“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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