SCHEMBL436091

SCHEMBL436091

COc1ccc2cc(C)c(=O)n(C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
BRPF1 P55201 4/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EGFR P00533 1/20 0.46
BRD1 O95696 3/20 0.45
BRPF3 Q9ULD4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
GRM2 Q14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.41
PDE2A O00408 1/20 0.41
PDE3B Q13370 1/20 0.41

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
SCHEMBL31202587 0.87 BRPF1 (0.61) BRPF1EGFRBRD1BRPF3L3MBTL1
SCHEMBL29955800 0.80 ALDH1A1 (0.52) CA2MTNR1AMTNR1BEGFRL3MBTL1
SCHEMBL19448891 0.79 BRPF1 (0.54) BRPF1BRD1BRPF3AHRKDM4E
SCHEMBL435333 0.79 CA2 (0.57) CA2MTNR1AMTNR1BL3MBTL1HTR2A
SCHEMBL30249158 0.78 MEN1 (0.52) CA2MTNR1AMTNR1BL3MBTL1KDM4E
SCHEMBL19231462 0.77 CA2 (0.55) CA2BRPF1MTNR1AMTNR1BL3MBTL1
SCHEMBL7859947 0.77 CYP19A1 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2BRD4
SCHEMBL13924451 0.77 BRD4 (0.45) CA2MTNR1AMTNR1BGRM2SMN1; SMN2
SCHEMBL4305180 0.76 MAPT (0.51)
SCHEMBL12992386 0.76 BRPF1 (0.75) BRPF1BRD1BRPF3KDM4EALDH1A1

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-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 WO disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 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 (2 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-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 CA2 2397/4885BRPF1 104/4885MTNR1A 3227/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH CA2 1663/4885BRPF1 3381/4885MTNR1A 123/4885

“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.