SCHEMBL7301824

SCHEMBL7301824

SC[CH]Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
IDO1 P14902 1/20 0.50
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ARG2 P78540 1/20 0.41
CALM1 P0DP23 1/20 0.41
ANPEP P15144 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL74275 0.83 MAOB (0.67) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL10366617 0.77 MAOB (0.75) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL4392839 0.77 MAOB (0.75) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL2023419 0.74 MAOB (0.55) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL1005335 0.74 MAOB (0.55) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL3755335 0.74 MAOB (0.55) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL118087 0.74 MAOB (0.55) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL185486 0.74 MAOB (0.55) MAOBIDO1TSHRALDH1A1TRPA1
SCHEMBL365818 0.74 MAOB (0.55) MAOBIDO1CA1CA2ARG2
SCHEMBL3007954 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884423-B methanofullerene 亚历克斯·菲利普·格雷厄姆·罗宾逊 2017-11-17 CN disclosed
CN-107087426-A two-step photoresist composition and method 亚历克斯·菲利普·格雷厄姆·罗宾逊 2017-08-22 CN disclosed
CN-102666095-B Resin substrate with hard coat film and manufacture method thereof ASAHI GLASS CO.,LTD. (JP) 2016-02-24 CN disclosed
CN-104884423-A methanofullerene ROBINSON ALEX PHILIP GRAHAM 2015-09-02 CN disclosed
CN-102695565-B There is the manufacture method of the resin substrate of hard coat and there is the resin substrate of hard coat ASAHI GLASS CO.,LTD. (JP) 2015-08-19 CN disclosed
US-8664254-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-8569351-B2 Dual-acting benzyl triazole antihypertensive agents having angiotensin II type receptor antagonist activity and neprilysin-inhibition activity THERAVANCE, INC. (US) 2013-10-29 US disclosed
US-20130245087-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-09-19 US disclosed
US-20130096162-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-04-18 US disclosed
CN-102695565-A Process for producing resin substrate having hard coating layer, and resin substrate having hard coating layer ASAHI GLASS CO LTD 2012-09-26 CN disclosed
CN-101215421-A Radiation-sensitive resin composition JSR CORP (JP) 2008-07-09 CN disclosed
CN-100374506-C Radiation-sensitive resin composition JSR CORP (JP) 2008-03-12 CN disclosed
CN-1196029-C Positive radiation-sensitive composition TORAY INDUSTRIES (JP) 2005-04-06 CN disclosed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
CN-1332205-A Radiation-sensitive resin composition JSR CORP (JP) 2002-01-23 CN disclosed
CN-1287630-A Positive radiation-sensitive composition TORAY INDUSTRIES (JP) 2001-03-14 CN disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
EP-0465369-B1 N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1994-04-13 EP disclosed
EP-0465369-A1 N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1992-01-08 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 (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-20130096162-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MAOB 152/4885IDO1 444/4885TSHR 331/4885
US-20130245087-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MAOB 161/4885IDO1 100/4885TSHR 217/4885

“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.