SCHEMBL15086743

SCHEMBL15086743

COc1ccc(C(=O)N2CCC(c3ccc4c(c3)OCO4)=N2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.60
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 4/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ THRB P10828 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
SCHEMBL15086704 0.97 MAOB (0.61) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14484727 0.91 MAOB (0.61) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL15086772 0.90 MAOB (0.50) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL15086708 0.89 MAOB (0.74) MAOBRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14484458 0.85 MAOB (0.60) MAOBNPC1SMN1; SMN2KMT2AMAPT
SCHEMBL15086775 0.84 HPGD (0.52) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL14484347 0.84 MAOB (0.67) MAOBRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL15088296 0.82 MAPT (0.60) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL15086705 0.82 HPGD (0.43) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL14484769 0.82 MAOB (0.59) MAOBNPC1RAB9ASMN1; SMN2TP53

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 3805/4885NPC1 4269/4885RAB9A 2196/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885NPC1 4269/4885RAB9A 2196/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885NPC1 4269/4885RAB9A 2196/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885NPC1 4269/4885RAB9A 2196/4885

“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.

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