SCHEMBL15086709

SCHEMBL15086709

COc1ccc(C(=O)N2CCC(c3ccc(OC)c(OC)c3)=N2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.70
ALDH1A1 P00352 4/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PDE5A O76074 1/20 0.52
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
DRD3 P35462 1/20 0.47
PDE4B Q07343 1/20 0.47
PGR P06401 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46

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 0.91 MAOB (0.74) MAOBALDH1A1POLBRAB9AHPGD
SCHEMBL27958512 0.91 MAOB (0.70) MAOBALDH1A1POLBRAB9AHPGD
SCHEMBL15086710 0.91 MAOB (0.70) MAOBALDH1A1POLBRAB9AHPGD
SCHEMBL14553662 0.89 MAOB (0.68) MAOBALDH1A1POLBGAAKMT2A
SCHEMBL982968 0.89 MAOB (0.71) MAOBALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL15086713 0.88 MAOB (0.70) MAOBALDH1A1POLBRAB9AHPGD
SCHEMBL14553624 0.87 MAOB (0.65) MAOBALDH1A1POLBRAB9AHPGD
SCHEMBL14484491 0.87 MAOB (0.68) MAOBALDH1A1POLBRAB9AHPGD
SCHEMBL14484810 0.87 MAOB (0.68) MAOBALDH1A1POLBRAB9AHPGD
SCHEMBL14484347 0.86 MAOB (0.67) MAOBALDH1A1POLBRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 3805/4885ALDH1A1 3510/4885POLB 4067/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ALDH1A1 3510/4885POLB 4067/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ALDH1A1 3510/4885POLB 4067/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ALDH1A1 3510/4885POLB 4067/4885

“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.