SCHEMBL4466657

SCHEMBL4466657

COc1ccccc1Oc1cc(C)ccc1NC(=O)C(=O)Nc1ncc(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
FBP1 P09467 7/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LPAR1 Q92633 3/20 0.40

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
SCHEMBL1341550 0.90 FBP1 (0.43) NPC1RAB9AFBP1KMT2AMEN1
SCHEMBL1342843 0.89 SMN1; SMN2 (0.48) NPC1RAB9AFBP1KMT2AMEN1
SCHEMBL4466666 0.88 NPC1 (0.44) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL4461876 0.82 RAB9A (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1343106 0.80 RAB9A (0.47) NPC1RAB9AFBP1KMT2ACCNE1
SCHEMBL1340405 0.79 FBP1 (0.43) FBP1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL1342400 0.79 NPC1 (0.53) NPC1RAB9AFBP1KMT2AMEN1
SCHEMBL1342247 0.78 NPC1 (0.42) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1342881 0.77 TP53 (0.53) NPC1RAB9AFBP1KMT2AMEN1
SCHEMBL1341811 0.76 SMN1; SMN2 (0.48) NPC1RAB9AKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (5 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 NPC1 2201/4885RAB9A 3353/4885FBP1 80/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NPC1 2201/4885RAB9A 3353/4885FBP1 80/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 NPC1 2499/4885RAB9A 3335/4885FBP1 85/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NPC1 2201/4885RAB9A 3353/4885FBP1 80/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NPC1 2201/4885RAB9A 3353/4885FBP1 80/4885

“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.