SCHEMBL2863135

SCHEMBL2863135

N#CC(N)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
IDO2 Q6ZQW0 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
PNMT P11086 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
LMNA P02545 3/20 0.39
GLA P06280 1/20 0.39
DPP4 P27487 1/20 0.39
AOC3 Q16853 1/20 0.38
TSHR P16473 5/20 0.38
HIF1A Q16665 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1I2 O75469 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
SCHEMBL2245671 1.00 ALDH1A1 (0.46) ALDH1A1IDO1TDO2IDO2CYP3A4
SCHEMBL30029908 0.77 ALDH1A1 (0.49) ALDH1A1IDO1TDO2IDO2CYP3A4
SCHEMBL8660409 0.77 ALDH1A1 (0.49) ALDH1A1IDO1TDO2IDO2CYP3A4
SCHEMBL8830287 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL9664891 0.77 ALDH1A1 (0.62) ALDH1A1IDO1TDO2IDO2CYP3A4
SCHEMBL28847192 0.76 MAP2K1 (0.40) ALDH1A1CYP3A4CYP1A2LMNATSHR
Hydrochloric Acid SCHEMBL8918532 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL1629226 0.76 ALDH1A1 (0.47) ALDH1A1IDO1TDO2IDO2CYP3A4
SCHEMBL6778296 0.75 LMNA (0.57) ALDH1A1IDO1TDO2CYP3A4LMNA
SCHEMBL7868609 0.74 IDO1 (0.40) ALDH1A1IDO1TDO2CYP3A4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115888686-B Cerium oxide@carbon composite material catalyst and synthetic method and application thereof 安徽师范大学 2024-09-24 CN disclosed
CN-104326934-A Preparation method of medical intermediate 2-chlorobenzene glycine methyl hydrochloride JIANFENG SHEN 2015-02-04 CN disclosed
EP-2168969-A2 Racemization and Enantiomer Separation of Clopidogrel TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-31 EP disclosed
EP-1483269-B1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL TEVA PHARMA (IL) 2009-10-14 EP disclosed
US-7259261-B2 Racemization and enantiomer separation of clopidogrel TEVA Gyógyszergyár Zártkörűen Működő Részvénytársaság (HU) 2007-08-21 US disclosed
US-20050049275-A1 Racemization and enantiomer separation of clopidogrel ENTIRE INTEREST 2005-03-03 US disclosed
EP-1483269-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL Teva Pharmaceutical Industries Limited (IL) 2004-12-08 EP disclosed
US-6800759-B2 REACTING MIXTURE OF (R) AND (S) CLOPIDOGREL FREE BASE WITH LEVOROTATORY CAMPHORSULFONIC ACID IN C5 TO C12 HYDROCARBON TO PRECIPITATE (S) CLOPIDOGREL CAMPHORSULFONATE, CONVERTING TO FREE BASE, PRECIPITATING CLOPIDOGREL BISULFATE IN SOLVENT TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-10-05 US disclosed
US-6737411-B2 CRYSTALLIZING AS CAMPHOR SULFONATE SALT; CONVERTING PURIFIED MATERIAL BACK TO FREE BASE FORM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-05-18 US disclosed
WO-2004013147-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-02-12 WO disclosed
US-20040024012-A1 Racemization and enantiomer separation of clopidogrel TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-02-05 US disclosed
US-20040024011-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL TEVA PHARMACEUTICALS USA, INC. 2004-02-05 US disclosed
CN-1111162-C Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same SHANGHAI INST OF MATERIAL MEDI (CN) 2003-06-11 CN disclosed
US-6307068-B1 TREATING OR IN PREVENTING CANCER. ADIR ET COMPAGNIE (FR) 2001-10-23 US disclosed
CN-1305482-A Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same SHANGHAI INST OF MATERIAL MEDI (CN) 2001-07-25 CN disclosed
EP-1086107-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2001-03-28 EP disclosed
WO-1999065914-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) 1999-12-23 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-20040024012-A1 Racemization and enantiomer separation of clopidogrel SRR, TBXA2R, PTGIR ALDH1A1 1422/4885IDO1 2530/4885TDO2 303/4885
US-20040024011-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL SRR, TBXA2R, PTGIR ALDH1A1 1422/4885IDO1 2530/4885TDO2 303/4885
US-20050049275-A1 Racemization and enantiomer separation of clopidogrel SRR, TBXA2R, PTGIR ALDH1A1 1422/4885IDO1 2530/4885TDO2 303/4885

“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.