SCHEMBL4092732

SCHEMBL4092732

NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.78
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 7/20 0.56
PNLIP P16233 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GLA P06280 1/20 0.54
ALOX12 P18054 3/20 0.53
CYP2C9 P11712 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL224279 0.88 NPC1 (1.00) NPC1HSD17B10ALDH1A1HPGDCA2
Hydrochloric Acid SCHEMBL28052562 0.86 NPC1 (0.95) NPC1HSD17B10ALDH1A1HPGDCA2
SCHEMBL14021839 0.85 MEN1 (0.65) NPC1ALDH1A1PNLIPL3MBTL1ALOX12
SCHEMBL4082468 0.84 ALDH1A1 (0.55) NPC1ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL7823002 0.83 PEPD (0.77) NPC1HSD17B10ALDH1A1GLAALOX12
SCHEMBL11390139 0.83 ALDH1A1 (0.58) NPC1ALDH1A1PNLIPL3MBTL1ALOX12
SCHEMBL5528916 0.83 SMN1; SMN2 (0.66) NPC1HSD17B10ALDH1A1PNLIPHPGD
SCHEMBL3119613 0.82 PNLIP (0.57) NPC1HSD17B10PNLIPNPSR1MAPT
SCHEMBL11656245 0.81 KMT2A (0.69) ALDH1A1PNLIPL3MBTL1HTTLMNA
SCHEMBL13750226 0.81 KIF11 (0.70) NPC1HSD17B10ALDH1A1PNLIPL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO 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-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA NPC1 305/4885HSD17B10 3074/4885ALDH1A1 2024/4885

“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.