SCHEMBL31044754

SCHEMBL31044754

CCc1nc(NCCc2ccc(Cl)cc2)c2cc(C)sc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SLC26A6 Q9BXS9 1/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL31044932 0.93 NPC1 (0.39) RAB9ANPC1GALR3NR2F2HTT
SCHEMBL31044664 0.90 NPC1 (0.37) RAB9ANPC1GALR3NR2F2HTT
SCHEMBL31045140 0.89 NPC1 (0.45) RAB9ANPC1GALR3NR2F2MAPT
SCHEMBL31044989 0.88 NR2F2 (0.44) RAB9ANPC1GALR3NR2F2HTT
SCHEMBL20668024 0.88 KDM4E (0.44) LMNAALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL20667996 0.88 APP (0.46) RAB9ANPC1GALR3NR2F2
SCHEMBL31045064 0.88 NPC1 (0.42) RAB9ANPC1GALR3NR2F2FYN
SCHEMBL31044935 0.87 PRKCI (0.44) RAB9ANPC1GALR3NR2F2ALDH1A1
SCHEMBL5436049 0.87 NPC1 (0.47) RAB9ANPC1GALR3NR2F2HTT
SCHEMBL5432174 0.86 RAB9A (0.50) RAB9ANPC1GALR3NR2F2HTT

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 RAB9A 1838/4885NPC1 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.