SCHEMBL31044934

SCHEMBL31044934

CCc1nc(NCCCc2ccc(-c3cnc(C(F)(F)F)cn3)cc2)c2cc(C)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CTSC P53634 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ACP1 P24666 1/20 0.30

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
SCHEMBL31044970 0.89 MCHR1 (0.38) MCHR1NPC1GALR3NR2F2RAB9A
SCHEMBL31044669 0.86 WNT3A (0.37) NPC1GALR3NR2F2RAB9AACP1
SCHEMBL31044928 0.85 RAB9A (0.35) MCHR1NPC1GALR3NR2F2RAB9A
SCHEMBL31045157 0.85 MCHR1 (0.42) MCHR1NPC1GALR3NR2F2RAB9A
SCHEMBL31045167 0.84 MCHR1 (0.44) MCHR1NPC1GALR3NR2F2RAB9A
SCHEMBL31044778 0.84 CYP1A2 (0.34) NPC1GALR3NR2F2RAB9APTGS2
SCHEMBL31044877 0.81 ALDH1A1 (0.40) NPC1GALR3NR2F2RAB9A
SCHEMBL31045078 0.81 KCNH2 (0.40) NPC1GALR3NR2F2RAB9A
SCHEMBL31044665 0.81 METAP1 (0.38) NPC1GALR3NR2F2RAB9AMAPT
SCHEMBL31044704 0.80 TRIM58 (0.40) NPC1GALR3NR2F2RAB9AACP1

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 MCHR1 4749/4885NPC1 626/4885GALR3 4159/4885

“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.

Send feedback