SCHEMBL2567299

SCHEMBL2567299

CC(C)(C)OCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.41
PLK1 P53350 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16381994 0.86 ALDH1A1 (0.45) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL18925717 0.79 TSHR (0.38) POLBMEN1KMT2AGAALMNA
SCHEMBL1145938 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL27527331 0.78 ALDH1A1 (0.49) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL12509022 0.78 ALDH1A1 (0.49) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL20128708 0.78 ESR1 (0.35) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL34466654 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL5311879 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL18925724 0.76 HRH3 (0.37) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9345372 0.76 KDM4E (0.32) RAB9APOLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2019-07-02 US disclosed
US-20170367340-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2017-12-28 US disclosed
US-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 US disclosed
US-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 US disclosed
EP-2383269-B1 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases BAYER IP GMBH (DE) 2017-01-18 EP disclosed
EP-2383269-B1 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases BAYER IP GMBH (DE) 2017-01-18 EP disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
EP-2097404-B1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-27 EP disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 US disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 US disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 US disclosed
EP-2097404-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF Bayer HealthCare AG (DE) 2009-09-09 EP disclosed
EP-2084151-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES Bayer HealthCare AG (DE) 2009-08-05 EP disclosed
WO-2008067871-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 WO disclosed
WO-2008067871-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 WO disclosed
WO-2008067874-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 WO disclosed
WO-2008067874-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 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 (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-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 ALDH1A1 292/4885NPC1 4803/4885RAB9A 2712/4885
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK ALDH1A1 203/4885NPC1 3533/4885RAB9A 2191/4885
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF DCK, THPO, QDPR ALDH1A1 722/4885NPC1 4344/4885RAB9A 4055/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS ALDH1A1 78/4885NPC1 2672/4885RAB9A 1859/4885
US-20170367340-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 ALDH1A1 292/4885NPC1 4803/4885RAB9A 2712/4885

“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.