SCHEMBL11959143

SCHEMBL11959143

Clc1cccc(COc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.72
▸ RXRA P19793 1/20 0.69
▸ RXRB P28702 1/20 0.69
▸ RXRG P48443 1/20 0.69
▸ NR4A2 P43354 1/20 0.67
▸ MAOA P21397 4/20 0.62
▸ PKM P14618 1/20 0.59
▸ CYP3A4 P08684 2/20 0.58
▸ IDO1 P14902 2/20 0.58
▸ AGXT P21549 2/20 0.58
▸ DHFR P00374 1/20 0.57
▸ GID4 Q8IVV7 1/20 0.57
▸ ALOX5 P09917 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ RAB9A P51151 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
Methyl Alcohol SCHEMBL9626623 0.95 RXRA (0.68) MAOBRXRARXRBRXRGNR4A2
SCHEMBL21407 0.93 RXRA (0.66) MAOBRXRARXRBRXRGNR4A2
Alcohol SCHEMBL9628500 0.92 RXRA (0.64) MAOBRXRARXRBRXRGNR4A2
Ethylamine SCHEMBL9628064 0.90 MAOB (0.69) MAOBRXRARXRBRXRGNR4A2
Isopropylamine SCHEMBL9628060 0.90 MAOB (0.65) MAOBRXRARXRBRXRGNR4A2
Propanol SCHEMBL9627268 0.89 RXRA (0.61) MAOBRXRARXRBRXRGNR4A2
SCHEMBL3823697 0.89 RXRA (0.69) MAOBRXRARXRBRXRGNR4A2
SCHEMBL1548932 0.86 F10 (0.62) MAOBNR4A2MAOAALOX5CYP1A2
SCHEMBL3624161 0.85 MAOB (0.73) MAOBRXRARXRBRXRGNR4A2
SCHEMBL28854357 0.84 MAOB (0.67) MAOBRXRARXRBRXRGMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104059055-B 1,2, 3-triazole compound and preparation method and application thereof 常州大学 2016-08-31 — — CN disclosed
CN-105440020-A 1,2,3-triazole compounds with antitumor activity and preparation method for 1,2,3-triazole compounds UNIV CHANGZHOU 2016-03-30 — — CN disclosed
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 — — US disclosed
EP-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 — — EP disclosed
US-20110263604-A1 Oxidase inhibitors and their use ORYZON GENOMICS, S.A. (ES) 2011-10-27 — — 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-20110263604-A1 Oxidase inhibitors and their use MAOA, PNPO, MAOB MAOB 3/4885RXRA 2729/4885RXRB 3008/4885
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 MAOB 569/4885RXRA 1761/4885RXRB 1862/4885

“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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