SCHEMBL197021

SCHEMBL197021

CCCC(=O)Oc1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
ACHE P22303 1/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CA2 P00918 2/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL7434055 0.98 CYP3A4 (0.50) CYP3A4TP53TSHRALDH1A1BCL9
SCHEMBL27931318 0.90 TSHR (0.54) CYP3A4TP53TSHRALDH1A1ACHE
SCHEMBL4270896 0.89 TSHR (0.56) CYP3A4TP53TSHRALDH1A1ACHE
SCHEMBL9417626 0.88 TSHR (0.59) CYP3A4TP53TSHRALDH1A1KMT2A
SCHEMBL421378 0.88 BCL9 (0.53) ALDH1A1BCL9CTNNB1ACHEKMT2A
SCHEMBL360724 0.86 ACHE (0.61) CYP3A4TP53TSHRALDH1A1ACHE
Methane SCHEMBL28871512 0.85 ACHE (0.59) CYP3A4TP53TSHRALDH1A1ACHE
Hydrochloric Acid SCHEMBL27650513 0.85 ACHE (0.59) CYP3A4TP53TSHRALDH1A1ACHE
SCHEMBL4810160 0.83 LMNA (0.62) ALDH1A1BCL9CTNNB1ACHEKMT2A
SCHEMBL13721468 0.82 BCL9 (0.47) ALDH1A1BCL9CTNNB1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103495340-B The method of SOx in compound alcamines solution removal gas BEIJING BOYUAN HENGSHENG HIGH-TECHNOLOGY CO.,LTD. (CN) 2015-11-18 CN claimed
CN-103495340-A Method of removing SOx in gas by compound alkanolamine solution BEIJING BOYUAN HENGSHENG HIGH TECHNOLOGY CO LTD 2014-01-08 CN claimed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US claimed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US claimed
US-5512548-A CHOLESTERYL ESTER TRANSFER PROTEIN SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1996-04-30 US claimed
CN-103980618-B Single layer and multilayer blown film 巴斯夫欧洲公司 2018-11-13 CN disclosed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-105960399-A Epoxyketone compounds for enzyme inhibition 宁波圣健生物医药科技有限公司 2016-09-21 CN disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
CN-1150195-C Bicyclic nitrogen heterocycles - 2004-05-19 CN disclosed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
CN-1450894-A Phenylethylamines and fused ring variants as prodrugs of catecholamines and uses thereof AXON BIOCHEMICALS BV (NL) 2003-10-22 CN disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
CN-1324360-A Bicyclic nitrogen heterocycles HOFFMANN LA ROCHE (CH) 2001-11-28 CN disclosed
CN-1319090-A Novel substuted indolimones, their preparation process and use as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2001-10-24 CN disclosed
EP-0373881-A2 Process for preparing optically active 2-oxoimidazolidine derivatives TANABE SEIYAKU CO., LTD. (JP) 1990-06-20 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 (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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 CYP3A4 3130/4885TP53 1317/4885TSHR 4156/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 CYP3A4 1756/4885TP53 978/4885TSHR 4001/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS CYP3A4 1629/4885TP53 2212/4885TSHR 4562/4885

“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.