SCHEMBL5535148

SCHEMBL5535148

O=[C]Cc1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
TAAR1 Q96RJ0 2/20 0.55
IDO1 P14902 2/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CYP2A13 Q16696 2/20 0.41
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.38
DBH P09172 1/20 0.38
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37

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
SCHEMBL96464 0.82 TAAR1 (0.52) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL16952334 0.79 GABRA1 (0.38) PNMTTAAR1ALDH1A1CYP2D6
SCHEMBL7438258 0.79 TAAR1 (0.57) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL16958334 0.79 ALDH1A1 (0.42) PNMTTAAR1ALDH1A1POLBSMN1; SMN2
SCHEMBL29763190 0.78 PNMT (0.56) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL310847 0.78 PNMT (0.56) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL16957570 0.76 XDH (0.41) PNMTTAAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1683184 0.75 IDO1 (0.60) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL11195030 0.75 ALDH1A1 (0.41) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL1046729 0.75 PNMT (0.62) PNMTTAAR1IDO1KDM4EALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320106-A1 ARYLACETYL INHIBITORS OF TG2 AND USES THEREOF University Of Ottawa (CA) 2024-02-14 EP disclosed
WO-2022213198-A1 ARYLACETYL INHIBITORS OF TG2 AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2022-10-13 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PNMT 4701/4885TAAR1 364/4885IDO1 3181/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 PNMT 880/4885TAAR1 436/4885IDO1 527/4885

“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.