SCHEMBL3270028

SCHEMBL3270028

Cc1ccc(-c2ccc(C#N)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.56
KIF11 P52732 2/20 0.47
MMP3 P08254 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 2/20 0.46
RIPK1 Q13546 1/20 0.46
KDM1A O60341 2/20 0.45
EGLN1 Q9GZT9 1/20 0.44
GAA P10253 1/20 0.43
HPGDS O60760 1/20 0.42
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGLN2 Q96KS0 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
SCHEMBL171975 0.83
SCHEMBL29794327 0.83
SCHEMBL17051516 0.82 HPGDS (0.54) HPGDS
SCHEMBL15937427 0.82 KDM4E (0.51) CYP11B2ALDH1A1CYP2A6KDM1AGAA
SCHEMBL13683832 0.82 CYP11B2 (0.48) CYP11B2KIF11MMP3ALDH1A1CYP2A6
SCHEMBL11753523 0.82 CYP11B2 (0.48) CYP11B2KIF11MMP3ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL8845303 0.81 ALDH1A1 (0.53) CYP11B2ALDH1A1CYP2A6GAAKDM4E
Hydrochloric Acid SCHEMBL4432024 0.81 ALDH1A1 (0.53) CYP11B2ALDH1A1CYP2A6GAAKDM4E
SCHEMBL3266198 0.80 CLK4 (0.53) CYP11B2ALDH1A1CYP1A2
SCHEMBL17324161 0.80 EGLN2 (0.43) HPGDSEGLN2

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
US-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-08-27 US disclosed
US-10312459-B2 Compound and organic electronic device using the same NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-06-04 US disclosed
EP-2799516-B1 LIQUID CRYSTAL MATERIAL OF SMECTIC PHASE IN HIGH SCATTERING STATE AND DISPLAY DEVICE THEREOF HALATION PHOTONICS CORP (CN) 2019-02-20 EP disclosed
US-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-07-27 US disclosed
US-9655363-B2 Microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2017-05-23 US disclosed
US-9655363-B2 Microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2017-05-23 US disclosed
EP-2951167-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-25 EP disclosed
US-20150351402-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-12-10 US disclosed
US-20150351402-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-12-10 US disclosed
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
WO-2014118170-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-07 WO disclosed
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 US disclosed
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 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 (7 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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL CYP11B2 215/4885KIF11 3248/4885MMP3 2009/4885
US-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, OR10J3, ESR1 CYP11B2 283/4885KIF11 2083/4885MMP3 4690/4885
US-10312459-B2 Compound and organic electronic device using the same OR51E2, OR10J3, ESR1 CYP11B2 283/4885KIF11 2083/4885MMP3 4690/4885
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP11B2 1039/4885KIF11 2635/4885MMP3 1271/4885
US-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, CCNA1, CCNE2 CYP11B2 266/4885KIF11 2228/4885MMP3 4469/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 CYP11B2 656/4885KIF11 3374/4885MMP3 2243/4885
US-20150351402-A1 NOVEL MICROBIOCIDES MSR1, C1R, CD14 CYP11B2 1171/4885KIF11 4621/4885MMP3 1775/4885

“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.