SCHEMBL31044945

SCHEMBL31044945

Cc1cc2c(NCCCc3ccc(Cl)cc3)nc(C(F)(F)F)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ HTT P42858 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
SCHEMBL31045237 0.91 TLR7 (0.39) NPC1GALR3NR2F2RAB9ATLR7
SCHEMBL31044682 0.90 TLR7 (0.38) NPC1GALR3NR2F2RAB9ATLR7
SCHEMBL31044755 0.90 MCHR1 (0.45) NPC1GALR3NR2F2RAB9ATLR7
SCHEMBL31045250 0.90 TLR7 (0.43) NPC1GALR3NR2F2RAB9ATLR7
SCHEMBL31045224 0.89 FGFR1 (0.39) NPC1GALR3NR2F2RAB9ATLR7
SCHEMBL31044722 0.89 MCHR1 (0.40) NPC1GALR3NR2F2RAB9ATLR7
SCHEMBL31045287 0.89 TLR7 (0.37) NPC1GALR3NR2F2RAB9ATLR7
SCHEMBL20667981 0.89 TLR7 (0.46) TLR7CCNE2CCNE1CDK2CTSC
SCHEMBL31045380 0.89 TLR7 (0.46) TLR7CCNE2CCNE1CDK2CTSC
SCHEMBL31045221 0.88 MCHR1 (0.39) NPC1GALR3NR2F2RAB9ATLR7

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 NPC1 626/4885GALR3 4159/4885NR2F2 4087/4885

“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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