SCHEMBL2570788

SCHEMBL2570788

Clc1cc(N2CCCCC2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
CYP1A2 P05177 1/20 0.48
OGA O60502 1/20 0.44
ELOVL1 Q9BW60 5/20 0.43
ALDH1A1 P00352 1/20 0.41
PRCP P42785 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.39
POLB P06746 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
SCHEMBL937322 0.98 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL4877694 0.94 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL19548104 0.85 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL564537 0.83 CYP2C19 (0.53) SMN1; SMN2RAB9ANPC1CYP1A2ELOVL1
SCHEMBL5122657 0.82 OGA (0.43) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL206004 0.82 OGA (0.43) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL4937062 0.81 BPTF (0.51) CYP1A2ALDH1A1HRH4MEN1KMT2A
SCHEMBL1774811 0.81 CYP1A2 (0.57) TSHRCYP1A2OGAALDH1A1HRH4
SCHEMBL2570384 0.81 CYP2C19 (0.58) SMN1; SMN2RAB9ANPC1CYP1A2OGA
SCHEMBL6894413 0.79 OGA (0.44) SMN1; SMN2RAB9ANPC1TSHRRECQL

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
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-2089380-B1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER IP GMBH (DE) 2016-06-29 EP disclosed
EP-2089380-B1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER IP GMBH (DE) 2016-06-29 EP disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
CN-101631785-A Substituted dihydropyrazolones for the treatment of cardiovascular and hematological disorders BAYER SCHERING PHARMA AG 2010-01-20 CN disclosed
CN-101541785-A Substituted dihydropyrazolones and use thereof as HIF-prolyl-4 -hydroxylase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-09-23 CN disclosed
EP-2089380-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-08-19 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-2008049538-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-02 WO disclosed
WO-2008049538-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-02 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 (2 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-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK SMN1; SMN2 3249/4885RAB9A 2191/4885NPC1 3533/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS SMN1; SMN2 3514/4885RAB9A 1859/4885NPC1 2672/4885

“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.