SCHEMBL3661752

SCHEMBL3661752

NC(=O)c1cc(N)cc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.57
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DDO Q99489 1/20 0.48
TPMT P51580 3/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL20551039 0.98 DHODH (0.55) DHODHKDM4EALDH1A1LMNAMEN1
SCHEMBL1498158 0.90 DHODH (0.65) DHODHKDM4EALDH1A1LMNATPMT
SCHEMBL8366010 0.90 DHODH (0.65) DHODHKDM4EALDH1A1LMNATPMT
SCHEMBL1807992 0.90 KDM4E (0.46) DHODHKDM4EALDH1A1LMNAMEN1
SCHEMBL2820215 0.90 KDM4E (0.56) DHODHKDM4EALDH1A1LMNAMEN1
SCHEMBL223304 0.90 KDM4E (0.56) DHODHKDM4EALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL8653192 0.87 KDM4E (0.54) DHODHKDM4EALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL9311860 0.87 KDM4E (0.54) DHODHKDM4EALDH1A1LMNAMEN1
Water SCHEMBL17938300 0.87 KDM4E (0.54) DHODHKDM4EALDH1A1LMNAMEN1
Iodide SCHEMBL9844728 0.87 KDM4E (0.45) DHODHKDM4EALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152854-C Preparation of tri-iodo benzene compound ��Īɳķ������˾ 2004-06-09 CN claimed
US-20220048852-A1 PROCESS OF PREPARING IOSIMENOL OTSUKA PHARMA CO LTD (JP) 2022-02-17 US disclosed
US-20200095191-A1 PROCESS OF PREPARING IOSIMENOL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-26 US disclosed
EP-3619192-A1 PROCESS OF PREPARING IOSIMENOL Otsuka Pharmaceutical Co., Ltd. (JP) 2020-03-11 EP disclosed
EP-3619192-A1 PROCESS OF PREPARING IOSIMENOL Otsuka Pharmaceutical Co., Ltd. (JP) 2020-03-11 EP disclosed
WO-2018203525-A1 PROCESS OF PREPARING IOSIMENOL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 WO disclosed
WO-2018203525-A1 PROCESS OF PREPARING IOSIMENOL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 WO disclosed
US-8680334-B2 Process for the preparation of iosimenol MALLINCKRODT LLC (US) 2014-03-25 US disclosed
US-20130261338-A1 Process for the Preparation of Iosimenol MALLINCKRODT LLC (US) 2013-10-03 US disclosed
US-8445725-B2 Process for the preparation of iosimenol MALLINCKRODT LLC (US) 2013-05-21 US disclosed
WO-2009091758-A1 PROCESS FOR THE PREPARATION OF IOSIMENOL MALLINCKRODT INC. (US) 2009-07-23 WO disclosed
EP-1186305-A1 New brominated compounds as contrast media for X-ray mammography Schering Aktiengesellschaft (DE) 2002-03-13 EP disclosed
EP-0426610-B1 Nonionic X-ray contrast agent with high iodine content SCHERING AG (DE) 1994-07-27 EP disclosed
EP-0460083-B1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION ROTTA RESEARCH LAB (IT) 1994-06-08 EP disclosed
US-5232937-A Cytoprotective agents, antisecretory agents, antagonist ROTTA RESEARCH LABORATORIUM SPA. (IT) 1993-08-03 US disclosed
EP-0460083-A1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION. ROTTA RESEARCH LAB (IT) 1991-12-11 EP disclosed
EP-0426610-A2 Nonionic X-ray contrast agent with high iodine content SCHERING AKTIENGESELLSCHAFT (DE) 1991-05-08 EP disclosed
WO-1990009989-A1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1990-09-07 WO disclosed
EP-0015867-B1 DIAMIDES OF TRIIODO-ISOPHTHALIC ACIDS, THEIR PREPARATION AND X-RAY CONTRAST AGENTS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed
EP-0015867-A1 Diamides of triiodo-isophthalic acids, their preparation and X-ray contrast agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-09-17 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-20200095191-A1 PROCESS OF PREPARING IOSIMENOL AOC2, SSTR5, SSTR2 DHODH 292/4885KDM4E 1491/4885ALDH1A1 3718/4885
US-20220048852-A1 PROCESS OF PREPARING IOSIMENOL AOC2, SSTR2, NISCH DHODH 420/4885KDM4E 2154/4885ALDH1A1 4215/4885
US-20130261338-A1 Process for the Preparation of Iosimenol ITPR3, ITPR2, DHCR24 DHODH 398/4885KDM4E 1832/4885ALDH1A1 2309/4885

“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.