SCHEMBL78325

SCHEMBL78325

Nc1ccc(N2CCCC2=O)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
GAA P10253 3/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTOR P42345 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
NR1H2 P55055 1/20 0.40
MAPK1 P28482 1/20 0.40
AR P10275 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
PDK2 Q15119 1/20 0.37
SRC P12931 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
SCHEMBL77167 0.95 GAA (0.42) HSD17B10GAATSHRGLAPOLB
SCHEMBL5489288 0.91 GAA (0.46) HSD17B10GAATSHRGLAPOLB
SCHEMBL12795802 0.84 HSD17B10 (0.41) HSD17B10GAAPOLBKDM4ETP53
SCHEMBL6140202 0.83 GAA (0.44) HSD17B10GAATSHRGLAPOLB
SCHEMBL77294 0.80 HSD17B10 (0.47) HSD17B10GAATSHRKDM4EMAPT
SCHEMBL6140218 0.80 GAA (0.47) HSD17B10GAATSHRGLAPOLB
SCHEMBL78398 0.78 F10 (0.47) HSD17B10GAATSHRGLAPOLB
SCHEMBL3866085 0.76 HSD17B10 (0.59) HSD17B10GAATSHRKDM4ETP53
SCHEMBL1937361 0.76 PARP1 (0.51) HSD17B10GAATSHRKDM4EALDH1A1
SCHEMBL30168172 0.76 ALDH1A1 (0.57) HSD17B10GAATSHRPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-18 US disclosed
US-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 US disclosed
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-8530505-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-10 US disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-01-03 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-7157456-B2 Anticoagulates for treating cardiovascular disorders, such as myocardial infarct, angina pectoris, restenoses after angioplasty, bypass, stroke; treatment of atherosclerosis, arthritis, Alzheimer's disease or cancer BAYER HEALTHCARE AG (DE) 2007-01-02 US disclosed
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-16 US disclosed
EP-1526132-A2 Substituted oxazolidinone derivatives and their use as factor xa inhibitors Bayer HealthCare AG (DE) 2005-04-27 EP disclosed
EP-1261606-B1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AG (DE) 2005-02-23 EP disclosed
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-12-02 US disclosed
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US disclosed
WO-2003000256-A9 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER AG (DE) 2003-02-06 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 (8 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-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 HSD17B10 1514/4885GAA 3135/4885TSHR 2864/4885
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B HSD17B10 310/4885GAA 1081/4885TSHR 3772/4885
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B HSD17B10 310/4885GAA 1081/4885TSHR 3772/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB HSD17B10 392/4885GAA 839/4885TSHR 4106/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 HSD17B10 285/4885GAA 1134/4885TSHR 4123/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 HSD17B10 2789/4885GAA 3670/4885TSHR 2958/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B HSD17B10 310/4885GAA 1081/4885TSHR 3772/4885
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation F2, F11, F13B HSD17B10 310/4885GAA 1081/4885TSHR 3772/4885

“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.