SCHEMBL1120862

SCHEMBL1120862

Cc1c(-c2cccnc2)[nH]c2cc(O)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.69
CYP11B2 P19099 4/20 0.69
CYP19A1 P11511 2/20 0.46
NR1I2 O75469 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
RAF1 P04049 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP17A1 P05093 2/20 0.44
TLR9 Q9NR96 3/20 0.43
MEN1 O00255 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
CYP2D6 P10635 2/20 0.43
BRCA1 P38398 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL7939316 0.83 CYP11B1 (0.69) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL1605619 0.83 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1605508 0.82 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1606498 0.82 CYP11B1 (0.68) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL2792363 0.82 CYP11B2 (1.00) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
SCHEMBL5194088 0.82 NR1I2 (0.51) CYP11B1CYP11B2NR1I2KDM4EALDH1A1
SCHEMBL1120892 0.81 CYP11B2 (0.66) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1604935 0.81 CYP11B2 (0.97) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
SCHEMBL2789460 0.79 CYP11B1 (0.67) CYP11B1CYP11B2CYP3A4TLR9CYP2D6
SCHEMBL28383145 0.79 NR1I2 (0.58) NR1I2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
CN-100347158-C Bicyclic compounds ASAHI CHEMICAL IND (JP) 2007-11-07 CN disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
CN-1606544-A Bicyclic compounds ASAHI CHEMICAL IND (JP) 2005-04-13 CN disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP 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 (3 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 CYP11B1 9/4885CYP11B2 22/4885CYP19A1 59/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R CYP11B1 325/4885CYP11B2 251/4885CYP19A1 1328/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 CYP11B1 342/4885CYP11B2 282/4885CYP19A1 1485/4885

“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.