SCHEMBL533724

SCHEMBL533724

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
HPGD P15428 2/20 0.68
KCNK3 O14649 2/20 0.64
KCNK9 Q9NPC2 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 3/20 0.60
FFAR1 O14842 1/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
TP53 P04637 2/20 0.58
THRB P10828 1/20 0.57
TYK2 P29597 1/20 0.56
DHODH Q02127 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL533801 0.89 SMN1; SMN2 (0.69) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL7331517 0.87 DHODH (0.68) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL4968847 0.87 CYP1A2 (0.65) CYP1A2HPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL24103987 0.86 HPGD (0.61) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL27885922 0.86 HPGD (0.61) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL16285490 0.86 SMN1; SMN2 (0.62) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL30839276 0.86 HPGD (0.61) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL5238426 0.84 HPGD (0.77) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL27353059 0.84 DHODH (0.63) CYP1A2HPGDKCNK3KCNK9SMN1; SMN2
SCHEMBL13644359 0.83 CYP1A2 (1.00) CYP1A2HPGDSMN1; SMN2ALDH1A1NPC1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251319-B1 Process for preparing derivatives of benzoic acid OTSUKA PHARMA CO LTD (JP) 2012-02-08 EP claimed
EP-2251319-A2 Process for preparing derivatives of benzoic acid Otsuka Pharmaceutical Co., Ltd. (JP) 2010-11-17 EP claimed
CN-117756717-A Tolvaptan intermediate and preparation method of tollvaptan 广州市桐晖药业有限公司 2024-03-26 CN disclosed
EP-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
CN-113717070-A Preparation method of intermediate of vasopressin V2 receptor antagonist 南京正大天晴制药有限公司 2021-11-30 CN disclosed
CN-111138363-A Tolvaptan impurity compound and preparation method and application thereof 南京正大天晴制药有限公司 2020-05-12 CN disclosed
CN-104829531-A Benazepine compound OTSUKA PHARMA CO LTD 2015-08-12 CN disclosed
CN-102753530-B Benzazepine compounds OTSUKA PHARMA CO LTD 2015-06-17 CN disclosed
CN-104447555-A BENZAZEPINE COMPOUND OTSUKA PHARMA CO LTD 2015-03-25 CN disclosed
US-8940727-B2 Benzazepine compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 US disclosed
US-8940727-B2 Benzazepine compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 US disclosed
WO-2011052519-A1 BENZAZEPINE COMPOUND 大塚製薬株式会社 (JP) 2011-05-05 WO 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
JP-2009107972-A AMINOBENZALDEHYDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING AMINOBENZOIC ACID COMPOUND FUJI CHEM IND CO LTD 2009-05-21 JP disclosed
JP-2009035513-A METHOD FOR PRODUCING 4-N-(METHYLBENZOYL)AMINO-2-METHYLBENZOIC ACID UBE IND LTD 2009-02-19 JP 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 (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-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A CYP1A2 444/4885HPGD 1043/4885KCNK3 393/4885

“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.