SCHEMBL14484347

SCHEMBL14484347

COc1cc(C(=O)N2CCC(c3ccc(OC)c(OC)c3)=N2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.67
MAOA P21397 3/20 0.47
PGR P06401 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
PDE4B Q07343 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL15086708 0.94 MAOB (0.74) MAOBPGRALDH1A1HPGDSMN1; SMN2
SCHEMBL14484491 0.92 MAOB (0.68) MAOBPGRALDH1A1HPGDSMN1; SMN2
SCHEMBL16133101 0.89 MAOB (0.61) MAOBPGRALDH1A1HPGDSMN1; SMN2
SCHEMBL14484713 0.86 MAOB (0.67) MAOBPGRALDH1A1HPGDSMN1; SMN2
SCHEMBL15086709 0.86 MAOB (0.70) MAOBPGRALDH1A1HPGDSMN1; SMN2
SCHEMBL27958512 0.86 MAOB (0.70) MAOBPGRALDH1A1HPGDHSD17B10
SCHEMBL14484737 0.85 MAOB (0.65) MAOBPGRALDH1A1HPGDSMN1; SMN2
SCHEMBL14484859 0.85 MAOB (0.65) MAOBMAOAPGRALDH1A1HPGD
SCHEMBL14553662 0.85 MAOB (0.68) MAOBPGRALDH1A1PDE4BPOLB
SCHEMBL982968 0.85 MAOB (0.71) MAOBMAOAPGRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 US disclosed
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
CN-103827091-A Dihydropyrazoles, pharmaceutical compositions thereof and their use for the treatment of fertility disorders MERCK PATENT GMBH 2014-05-28 CN disclosed
EP-2726463-A2 DIHYDROPYRAZOLES Merck Patent GmbH (DE) 2014-05-07 EP disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
WO-2013006308-A2 DIHYDROPYRAZOLES MERCK PATENT GMBH (DE) 2013-01-10 WO disclosed
WO-2013006308-A2 DIHYDROPYRAZOLES MERCK PATENT GMBH (DE) 2013-01-10 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 (3 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-20170368030-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885MAOA 4146/4885PGR 21/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885MAOA 4146/4885PGR 21/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885MAOA 4146/4885PGR 21/4885

“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.