SCHEMBL564537

SCHEMBL564537

Clc1cc(N2CCCOCC2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
KMO O15229 1/20 0.51
ELOVL1 Q9BW60 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIK3CB P42338 1/20 0.47
KMT2A Q03164 1/20 0.47
LRRK2 Q5S007 2/20 0.45
CNR2 P34972 1/20 0.44
P4HTM Q9NXG6 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
PIK3CA P42336 1/20 0.43
EGFR P00533 1/20 0.43
ERBB3 P21860 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2570384 0.93 CYP2C19 (0.58) CYP2C19KMOELOVL1CYP1A2CYP2D6
SCHEMBL937322 0.84 SMN1; SMN2 (0.50) CYP2C19ELOVL1CYP1A2SMN1; SMN2NPC1
SCHEMBL4877694 0.84 SMN1; SMN2 (0.46) CYP2C19KMOELOVL1CYP1A2SMN1; SMN2
SCHEMBL2570788 0.83 SMN1; SMN2 (0.53) ELOVL1CYP1A2SMN1; SMN2KMT2ACNR2
SCHEMBL30828973 0.81 CYP2C19 (0.53) CYP2C19KMOELOVL1CYP1A2CYP2D6
SCHEMBL26647473 0.81 CYP2C19 (0.53) CYP2C19KMOELOVL1CYP1A2CYP2D6
SCHEMBL31110333 0.80 CYP2C19 (0.68) CYP2C19KMOELOVL1HTTSMN1; SMN2
SCHEMBL564532 0.77 PIK3CB (0.56) CYP2C19KMOELOVL1HTTSMN1; SMN2
SCHEMBL206004 0.74 OGA (0.43) CYP2C19KMOCYP1A2CYP2D6MAPT
SCHEMBL5122657 0.74 OGA (0.43) CYP2C19KMOCYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265602-B1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-2265602-B1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER IP GMBH (DE) 2015-04-08 EP disclosed
US-20140038938-A1 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140038938-A1 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
EP-2265602-A1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-12-29 EP disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
WO-2009129945-A1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 WO disclosed
WO-2009129945-A1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 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-20140038938-A1 Substituted dihydropyrazolones and their use GLS, ATP6V1B1, PFKP CYP2C19 1061/4885KMO 1168/4885ELOVL1 4749/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP CYP2C19 1061/4885KMO 1168/4885ELOVL1 4749/4885
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP CYP2C19 1061/4885KMO 1168/4885ELOVL1 4749/4885

“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.