SCHEMBL5333933

SCHEMBL5333933

COc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.81
RAB9A P51151 6/20 0.81
ALDH1A1 P00352 3/20 0.81
KMT2A Q03164 7/20 0.79
SMN1; SMN2 Q16637 5/20 0.79
TP53 P04637 5/20 0.79
MEN1 O00255 5/20 0.79
MAPK1 P28482 2/20 0.79
PKM P14618 1/20 0.79
HPGD P15428 1/20 0.79
TSHR P16473 2/20 0.76
KDM4E B2RXH2 1/20 0.76
NFKB1 P19838 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
AR P10275 1/20 0.69
RXFP1 Q9HBX9 1/20 0.68
KCNK3 O14649 1/20 0.68
KCNK9 Q9NPC2 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68

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
SCHEMBL6802217 0.89 NPC1 (0.83) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL7824945 0.88 KMT2A (0.82) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL5345650 0.87 KMT2A (1.00) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL8363735 0.87 NPC1 (1.00) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL5400469 0.87 AR (0.89) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL12167724 0.87 AR (0.89) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL5226157 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL15838878 0.85 NPC1 (0.60) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL30949327 0.85 AR (0.87) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL30455725 0.85 NPC1 (0.76) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 EP disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 US disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 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-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 NPC1 1239/4885RAB9A 3856/4885ALDH1A1 378/4885

“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.