SCHEMBL4461876

SCHEMBL4461876

COc1ccccc1Oc1cc(C)ccc1NC(=O)C(=O)Nc1nccs1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
ADRB2 P07550 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
MAPK1 P28482 4/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.48
KCNMA1 Q12791 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
BRD4 O60885 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL1343408 0.89 RAB9A (0.53) RAB9ANPC1ADRB2SMN1; SMN2MAPK1
SCHEMBL1343505 0.89 RAB9A (0.59) RAB9ANPC1ADRB2SMN1; SMN2MAPK1
SCHEMBL1340837 0.83 SMN1; SMN2 (0.51) RAB9ANPC1ADRB2SMN1; SMN2MAPK1
SCHEMBL4466657 0.82 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4466666 0.82 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1342075 0.82 RAB9A (0.52) RAB9ANPC1ADRB2SMN1; SMN2MAPK1
SCHEMBL1340389 0.81 RAB9A (0.58) RAB9ANPC1ADRB2SMN1; SMN2MAPK1
SCHEMBL1340856 0.80 RAB9A (0.58) RAB9ANPC1ADRB2SMN1; SMN2MAPK1
SCHEMBL1341421 0.79 EGFR (0.45) RAB9ANPC1ADRB2SMN1; SMN2MAPK1
SCHEMBL1341522 0.79 RAB9A (0.65) RAB9ANPC1ADRB2SMN1; SMN2MAPK1

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 RAB9A 3353/4885NPC1 2201/4885ADRB2 2856/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 RAB9A 3353/4885NPC1 2201/4885ADRB2 2856/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 RAB9A 3335/4885NPC1 2499/4885ADRB2 3191/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 RAB9A 3353/4885NPC1 2201/4885ADRB2 2856/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 RAB9A 3353/4885NPC1 2201/4885ADRB2 2856/4885

“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.