SCHEMBL641433

SCHEMBL641433

N=C(NO)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL3625689 0.83 TSHR (0.50) POLBALDH1A1CES2CES1JAK2
SCHEMBL3950057 0.80 POLB (0.52) POLBALDH1A1CES2CES1CYP1A2
SCHEMBL12268127 0.80 POLB (0.52) POLBALDH1A1CES2CES1CYP1A2
SCHEMBL397462 0.79 MAPT (0.42) POLBALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL6325405 0.79 KAT6A (0.44) POLBALDH1A1CES2CES1JAK2
SCHEMBL7829720 0.77 SMO (0.50) POLBALDH1A1CES2CES1CYP1A2
Hydrochloric Acid SCHEMBL31393258 0.75 POLB (0.52) POLBALDH1A1CES2CES1CYP1A2
SCHEMBL28574727 0.75 NPC1 (0.51) POLBALDH1A1JAK2TYK2LMNA
SCHEMBL1855925 0.74 ALDH1A1 (0.44) POLBALDH1A1CYP1A2HPGDJAK2
SCHEMBL17063882 0.74 KDM4E (0.56) POLBALDH1A1HPGDCYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 US disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
CN-105418598-A Compositions and Methods for Controlling Nematodes DIVERGENCE INC 2016-03-23 CN disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
US-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv RANBAXY LABORATORIES LIMITED (IN) 2008-12-18 US disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1928866-A1 SUBSTITUTED INDAZOLES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2008-06-11 EP disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
WO-2007029077-A1 SUBSTITUTED INDAZOLES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed
WO-2006063610-A1 HETEROARYL SUBSTITUTED DIAZABICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 WO disclosed
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 WO disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 POLB 54/4885ALDH1A1 338/4885CES2 3601/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 POLB 3149/4885ALDH1A1 404/4885CES2 3223/4885
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R POLB 4846/4885ALDH1A1 710/4885CES2 1424/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 POLB 3149/4885ALDH1A1 404/4885CES2 3223/4885
US-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv PDE3B, PDE3A, PDE7A POLB 1415/4885ALDH1A1 499/4885CES2 2215/4885

“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.