SCHEMBL5637692

SCHEMBL5637692

COc1ccc(-c2nc(C)c(C=O)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.50
NPC1 O15118 10/20 0.49
RAB9A P51151 10/20 0.49
KMT2A Q03164 1/20 0.49
TARBP2 Q15633 2/20 0.47
PDCD4 Q53EL6 1/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.47
NOTUM Q6P988 1/20 0.45
APP P05067 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL22678521 0.84 DRD1 (0.50) IKBKBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5638197 0.82 LMNA (0.45) IKBKBNPC1RAB9ATARBP2PDCD4
SCHEMBL5638728 0.81 ESR2 (0.49) IKBKBNPC1RAB9AKMT2AMAPT
SCHEMBL15265475 0.80 GAA (0.50) IKBKBNPC1RAB9ATARBP2SMN1; SMN2
SCHEMBL201926 0.78 TARBP2 (0.56) IKBKBNPC1RAB9AKMT2ATARBP2
SCHEMBL22678886 0.78 TARBP2 (0.53) IKBKBNPC1RAB9AKMT2ATARBP2
SCHEMBL3737979 0.77 IKBKB (0.49) IKBKBNPC1RAB9AKMT2AMAPT
SCHEMBL22658076 0.75 ALDH1A1 (0.57) IKBKBNPC1RAB9AKMT2ATARBP2
SCHEMBL8615008 0.73 POLB (0.38) ALDH1A1LMNA
SCHEMBL5640634 0.73 ALDH1A1 (0.74) IKBKBNPC1RAB9AKMT2ATARBP2

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-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R IKBKB 1460/4885NPC1 457/4885RAB9A 1063/4885

“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.