SCHEMBL533683

SCHEMBL533683

Cc1cc(NC(=O)c2ccccc2C)ccc1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.72
RAB9A P51151 8/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
NPC1 O15118 7/20 0.63
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
KCNK3 O14649 3/20 0.60
KCNK9 Q9NPC2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TP53 P04637 1/20 0.58
CYP1A2 P05177 2/20 0.57
MAPK1 P28482 1/20 0.57
TYK2 P29597 1/20 0.56
DHODH Q02127 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL29803598 0.83 RAB9A (0.62) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL28729250 0.83 RAB9A (0.70) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL29434835 0.83 RAB9A (0.70) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL533801 0.83 SMN1; SMN2 (0.69) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL11668137 0.82 KCNK3 (0.84) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL19799127 0.81 DHODH (0.68) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL12225790 0.81 P2RX1 (0.70) RAB9AKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL533724 0.81 CYP1A2 (0.70) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL24103987 0.80 HPGD (0.61) RAB9AKMT2AMEN1NPC1HPGD
SCHEMBL16285490 0.80 SMN1; SMN2 (0.62) RAB9AKMT2AMEN1NPC1HPGD

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-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
CN-103159641-A Method for preparing intermediate 2-carboxylic acid-5-(2-methyl-benzoylamino)toluene for tolvaptan TIANJIN TAIPU PHARMACEUTICAL SCI & TECH DEV CO LTD 2013-06-19 CN 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 LMNA 925/4885RAB9A 1462/4885KMT2A 1587/4885
US-20120226034-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A LMNA 925/4885RAB9A 1462/4885KMT2A 1587/4885

“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.