SCHEMBL31044686

SCHEMBL31044686

CCc1nc(NCCCc2ccc(-c3cc(Cl)ccc3Cl)cc2)c2cc(C)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
STK17A Q9UEE5 4/20 0.33
MAPT P10636 1/20 0.33
SGK1 O00141 1/20 0.33
STK17B O94768 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ACKR3 P25106 1/20 0.33
HTR2B P41595 1/20 0.33
RORC P51449 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CRHR1 P34998 2/20 0.32
CHRM1 P11229 1/20 0.31

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
SCHEMBL31044923 0.93 CRHR1 (0.37) PDE4BPIK3CDPIK3R1NPC1GALR3
SCHEMBL31044664 0.90 NPC1 (0.37) PDE4BPIK3CDPIK3R1NPC1GALR3
SCHEMBL31044932 0.89 NPC1 (0.39) PIK3CDPIK3R1NPC1GALR3NR2F2
SCHEMBL31045030 0.88 NPC1 (0.35) NPC1GALR3NR2F2RAB9ASTK17A
SCHEMBL31044958 0.87 NPC1 (0.36) PDE4BPIK3CDPIK3R1NPC1GALR3
SCHEMBL31044889 0.85 NPC1 (0.35) PDE4BPIK3CDPIK3R1NPC1GALR3
SCHEMBL31044704 0.83 TRIM58 (0.40) NPC1GALR3NR2F2RAB9A
SCHEMBL31045439 0.83 NPC1 (0.40) NPC1GALR3NR2F2RAB9AMAPT
SCHEMBL31044754 0.83 RAB9A (0.44) NPC1GALR3NR2F2RAB9AMAPT
SCHEMBL31044903 0.82 PRKCI (0.44) NPC1GALR3NR2F2RAB9AMAPT

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 PDE4B 1084/4885PIK3CD 2267/4885PIK3R1 3287/4885

“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.