SCHEMBL31044883

SCHEMBL31044883

CCc1nc(NCCCc2cccc(N(C)C)c2)c2cc(C)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NOS1 P29475 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ EGFR P00533 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ FLT1 P17948 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL31045257 0.89 SLC6A3 (0.38) NPC1GALR3NR2F2RAB9ANOS1
SCHEMBL20667986 0.86 TLR8 (0.41) —
SCHEMBL31045102 0.86 SLC6A3 (0.40) NPC1GALR3NR2F2RAB9ASLC6A3
SCHEMBL31045304 0.86 TAAR1 (0.38) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL31045132 0.85 MAPK14 (0.40) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL31044982 0.84 ADRA2C (0.43) NPC1GALR3NR2F2RAB9ASLC6A3
SCHEMBL31044731 0.83 TLR8 (0.43) —
SCHEMBL31045022 0.82 NPC1 (0.39) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL31045439 0.82 NPC1 (0.40) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL31044699 0.80 NPC1 (0.39) NPC1GALR3NR2F2RAB9AKDM4E

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.

Send feedback