SCHEMBL31044658

SCHEMBL31044658

CCc1nc(NCCc2cccc(C(F)(F)F)c2)c2cc(C)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ JAK3 P52333 1/20 0.39
▸ APP P05067 1/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ CASR P41180 2/20 0.38
▸ MLNR O43193 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CHRM1 P11229 1/20 0.38

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
SCHEMBL31044982 0.94 ADRA2C (0.43) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL5435709 0.89 NPC1 (0.42) NPC1GALR3NR2F2RAB9AJAK3
SCHEMBL31045026 0.88 PDE2A (0.45) NPC1GALR3NR2F2RAB9ACCNC
SCHEMBL20667996 0.86 APP (0.46) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31045064 0.85 NPC1 (0.42) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31044998 0.83 RAB9A (0.48) NPC1GALR3NR2F2RAB9AADORA3
SCHEMBL5423687 0.83 RAB9A (0.48) NPC1GALR3NR2F2RAB9AADORA3
SCHEMBL31044650 0.82 ADRA2C (0.44) APPADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL31045167 0.82 MCHR1 (0.44) NPC1GALR3NR2F2RAB9AKCNH2
SCHEMBL31045004 0.82 NPC1 (0.45) NPC1GALR3NR2F2RAB9AAPP

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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