SCHEMBL533730

SCHEMBL533730

Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)CCl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 2/20 0.55
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
DHODH Q02127 1/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 1/20 0.54
FFAR1 O14842 1/20 0.53
F2R P25116 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 1/20 0.52
THRB P10828 1/20 0.52
TYK2 P29597 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL30839276 0.84 HPGD (0.61) HPGDSMN1; SMN2ALDH1A1KCNK3KCNK9
SCHEMBL24103987 0.84 HPGD (0.61) HPGDSMN1; SMN2ALDH1A1KCNK3KCNK9
SCHEMBL533801 0.84 SMN1; SMN2 (0.69) HPGDSMN1; SMN2ALDH1A1KCNK3KCNK9
SCHEMBL533724 0.82 CYP1A2 (0.70) HPGDSMN1; SMN2ALDH1A1KCNK3KCNK9
SCHEMBL27885922 0.81 HPGD (0.61) HPGDSMN1; SMN2ALDH1A1KCNK3KCNK9
SCHEMBL16285490 0.81 SMN1; SMN2 (0.62) HPGDSMN1; SMN2ALDH1A1KCNK3KCNK9
SCHEMBL31661220 0.81 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL30954405 0.80 ERCC5 (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7472715 0.80 ERCC5 (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL533692 0.80 HPGD (0.52) HPGDSMN1; SMN2ALDH1A1KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261215-B1 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMA CO LTD (JP) 2014-12-31 EP disclosed
US-8501730-B2 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8273735-B2 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-20120226034-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-06 US disclosed
EP-2251319-B1 Process for preparing derivatives of benzoic acid OTSUKA PHARMA CO LTD (JP) 2012-02-08 EP disclosed
EP-1919874-B1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMA CO LTD (JP) 2011-01-26 EP disclosed
EP-2261215-A1 Process for preparing benzazepine compounds or salts thereof Otsuka Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2251319-A2 Process for preparing derivatives of benzoic acid Otsuka Pharmaceutical Co., Ltd. (JP) 2010-11-17 EP disclosed
US-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1919874-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2008-05-14 EP disclosed
WO-2007026971-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (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-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A HPGD 1043/4885SMN1; SMN2 2293/4885ALDH1A1 876/4885
US-20120226034-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A HPGD 1043/4885SMN1; SMN2 2293/4885ALDH1A1 876/4885

“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.