SCHEMBL3702885

SCHEMBL3702885

CCOC(=O)/C(=C/N(C)C)n1cnc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL2570722 1.00 CYP2C9 (0.40) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL4803966 0.84 CYP2C9 (0.46) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL564076 0.84 CYP2C9 (0.46) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL564077 0.84 CYP2C9 (0.46) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL2571732 0.83 ALDH1A1 (0.37) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL3705921 0.83 ALDH1A1 (0.37) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL4751953 0.83 CYP2C9 (0.36) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL564925 0.76 MAPT (0.45) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL564926 0.76 MAPT (0.45) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL4814945 0.76 MAPT (0.45) CYP2C9KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 US disclosed
US-8987261-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8389520-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-05 US disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 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-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK CYP2C9 1749/4885KMT2A 1437/4885MEN1 3430/4885
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK CYP2C9 1749/4885KMT2A 1437/4885MEN1 3430/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS CYP2C9 662/4885KMT2A 1588/4885MEN1 2510/4885
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK CYP2C9 1749/4885KMT2A 1437/4885MEN1 3430/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK CYP2C9 1749/4885KMT2A 1437/4885MEN1 3430/4885

“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.