SCHEMBL4887074

SCHEMBL4887074

O=CNCc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
IDO1 P14902 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 1/20 0.44
NLRP1 Q9C000 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43

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
SCHEMBL351321 0.85 ADH1B (0.39) HTTMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5398542 0.83 HTT (0.39) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL12497219 0.81 CXCR3 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17574522 0.81 P2RX7 (0.45) HTTMEN1KMT2AMAPK1CYP1A2
SCHEMBL22854882 0.81 HPGD (0.42) HTTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL2856783 0.81 CNR1 (0.51) HTTIDO1MEN1KMT2AMAPK1
SCHEMBL14656662 0.81 HTT (0.65) HTTIDO1MEN1KMT2AMAPK1
SCHEMBL12614496 0.81 IDO1 (0.48) HTTIDO1MEN1KMT2AMAPK1
SCHEMBL8256192 0.81 IDO1 (0.48) HTTIDO1MEN1KMT2AMAPK1
SCHEMBL12968539 0.80 F2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP claimed
EP-0495091-B1 AICA RIBOSIDE ANALOGS METABASIS THERAPEUTICS INC (US) 1999-11-24 EP claimed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
WO-2018110669-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 WO disclosed
US-9776991-B2 Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2017-10-03 US disclosed
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2016-11-10 US disclosed
EP-3077380-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE Sanofi (FR) 2016-10-12 EP disclosed
WO-2015082474-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2015-06-11 WO disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP 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-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-5633364-A N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines AMOCO CORPORATION (US) 1997-05-27 US disclosed
US-5405950-A N4 -substituted cytidines and process for incorporation into an oligonucleotides AMOCO CORPORATION (US) 1995-04-11 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 (5 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 HTT 4644/4885IDO1 3181/4885MEN1 3295/4885
US-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B HTT 1754/4885IDO1 3432/4885MEN1 1416/4885
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC HTT 3823/4885IDO1 531/4885MEN1 3061/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 HTT 2539/4885IDO1 2867/4885MEN1 4543/4885
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, LTA4H HTT 4087/4885IDO1 2449/4885MEN1 4469/4885

“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.