SCHEMBL505353

SCHEMBL505353

CC(=O)Nc1ccccc1C(C)=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.69
POLB P06746 1/20 0.69
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
PDK1 Q15118 1/20 0.57
PDK2 Q15119 1/20 0.57
PDK3 Q15120 1/20 0.57
PDK4 Q16654 1/20 0.57
CNR2 P34972 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPK1 P28482 1/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 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
SCHEMBL29808973 1.00 CYP2C19 (0.69) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL6857308 0.87 NPC1 (0.57) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL29437050 0.85 POLB (0.72) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL110042 0.85 POLB (0.72) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL27644581 0.85 PDK1 (0.56) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL2943260 0.85 PDK1 (0.56) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL2837597 0.85 POLB (0.56) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL6970301 0.85 CYP2C19 (0.67) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL27819891 0.85 POLB (0.72) CYP2C19POLBALDH1A1HPGDNPC1
SCHEMBL6689158 0.84 ALDH1A1 (0.74) CYP2C19POLBALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516252-A Preparation method of Nedocromil sodium SICHUAN DIHON MEDICAL DEV CO LTD 2012-06-27 CN claimed
US-6500935-B2 REACTING SAID INTERMEDIATE WITH AN AMINE-CONTAINING COMPOUND TO FORM A DISAZO DYE MILLIKEN & COMPANY 2002-12-31 US claimed
US-20020107371-A1 Aromatic bis-acetoacetamide intermediates MILLIKEN & COMPANY 2002-08-08 US claimed
WO-2002044282-A2 AROMATIC BIS-ACETOACETAMIDE INTERMEDIATES MILLIKEN & COMPANY (US) 2002-06-06 WO claimed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
CN-114835687-B AhR inhibitors 北京华森英诺生物科技有限公司 2023-09-05 CN disclosed
CN-114835687-A AhR inhibitors 重庆华森制药股份有限公司 2022-08-02 CN disclosed
EP-2252293-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2018-06-27 EP disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-9290480-B2 Quinazoline-2,4-dione derivative, and medical compositions for the prophylaxis and treatment of cranial nerve disease containing the same Shin Poong Pharmaceuticals Co., Ltd. (KR) 2016-03-22 US disclosed
CN-103124731-B Fused heteroaryl compounds and uses thereof HUTCHISON MEDIPHARMA LTD. (CN) 2016-01-20 CN disclosed
EP-1613600-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-12-23 EP disclosed
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US 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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 CYP2C19 4669/4885POLB 4812/4885ALDH1A1 2036/4885

“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.