SCHEMBL1046729

SCHEMBL1046729

[O]Cc1cccc(Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.62
▸ TAAR1 Q96RJ0 1/20 0.56
▸ IDO1 P14902 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2A13 Q16696 2/20 0.44
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DBH P09172 1/20 0.41
▸ PTPRC P08575 1/20 0.40
▸ PTPRG P23470 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL10690855 0.81 TAAR1 (0.63) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL91279 0.80 PNMT (0.62) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL18239035 0.80 PNMT (0.62) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL96358 0.79 — —
SCHEMBL3302008 0.79 PNMT (0.68) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL42705 0.77 PNMT (1.00) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL2090165 0.77 CYP3A4 (0.40) PNMTTAAR1IDO1MEN1KMT2A
SCHEMBL283449 0.77 PNMT (0.65) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL10365620 0.76 TAAR1 (0.38) PNMTTAAR1IDO1ALDH1A1RECQL
SCHEMBL11006111 0.76 ALDH1A1 (0.46) PNMTTAAR1IDO1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008355-B Compound and its purposes as BACE inhibitor 阿斯利康(瑞典)有限公司 2019-05-03 — — CN claimed
CN-104136416-A Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same BIO PHARM SOLUTIONS CO LTD 2014-11-05 — — CN claimed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 — — EP claimed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 — — US claimed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 — — US claimed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 — — EP claimed
EP-0584461-A1 5-Haloimidazoles BAYER AG (DE) 1994-03-02 — — EP claimed
US-5021434-A Aromatase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-04 — — US claimed
US-4916144-A ESTROGEN-CAUSE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 1990-04-10 — — US claimed
CN-106008355-B Compound and its purposes as BACE inhibitor 阿斯利康(瑞典)有限公司 2019-05-03 — — CN disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
CN-103261176-B 1, 4-oxazepane derivatives TAKEDA PHARMACEUTICAL 2015-06-03 — — CN disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
US-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-18 — — US disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 — — WO disclosed
EP-0584461-A1 5-Haloimidazoles BAYER AG (DE) 1994-03-02 — — EP disclosed
EP-0226641-B1 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-18 — — EP disclosed
US-4713381-A ANTICOAGULANTS, ANALGESICS, ANTIINFLAMMATORY AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-12-15 — — US disclosed
EP-0226641-A1 OXODIAZINE COMPOUNDS. YOSHITOMI PHARMACEUTICAL (JP) 1987-07-01 — — EP disclosed
WO-1986007059-A2 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-12-04 — — 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 (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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PNMT 3022/4885TAAR1 1385/4885IDO1 187/4885
US-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 PNMT 4566/4885TAAR1 2851/4885IDO1 4305/4885
US-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF NR3C2, NR5A1, NR3C1 PNMT 4449/4885TAAR1 1270/4885IDO1 2632/4885

“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.

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