SCHEMBL13071035

SCHEMBL13071035

O=c1ccc(-c2ccc(OC3CCCC3)c(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 3/20 0.47
KDR P35968 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
SCHEMBL13071037 0.99 HRH3 (0.48) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL12595962 0.82 PDE4A (0.54) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL8635918 0.81 PDE4D (0.69) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL13070912 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8632255 0.81 PDE4A (0.71) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL12595965 0.81 PDE4A (0.53) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL13070911 0.81 PDE4A (0.47) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL8633365 0.81 PDE4D (0.67) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL1769751 0.80 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8631909 0.80 PDE4A (0.70) HRH3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212146-B2 Substituted pyridazinones for the treatment of tumors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-15 US disclosed
US-9212146-B2 Substituted pyridazinones for the treatment of tumors SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-15 US disclosed
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2013-10-24 US disclosed
US-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2013-10-24 US disclosed
US-8501731-B2 Derivatives of 6[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one having antitumor activity SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-06 US disclosed
EP-2253625-B1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2013-03-13 EP disclosed
EP-2253625-A1 PYRIDAZINONES, THE PREPARATION AND THE USE THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2010-11-24 EP 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 (1 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-20130281426-A1 PYRIDAZINONES, THE PREPARATION METHOD AND THE USE THEREOF CYP3A5, PDXK, HCCS HRH3 1562/4885PDE4A 3588/4885PDE4B 3381/4885

“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.