SCHEMBL15086784

SCHEMBL15086784

COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCO4)CC2(C)C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ MAPT P10636 7/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ STAT1 P42224 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL14553703 0.94 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL14553543 0.86 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL14484361 0.86 NR1H4 (0.42) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14553656 0.84 KMT2A (0.41) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL15088313 0.84 MAPT (0.57) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL14553623 0.84 MAOB (0.43) SMN1; SMN2MAPTKMT2ALMNAALDH1A1
SCHEMBL14553652 0.83 HTT (0.45) SMN1; SMN2RAB9AMAPTKMT2ALMNA
SCHEMBL27958547 0.83 MAPT (0.49) NPC1TP53MAPTKMT2ALMNA
SCHEMBL14484348 0.82 MAOB (0.41) SMN1; SMN2RAB9AMAPTLMNAALDH1A1
SCHEMBL14484428 0.82 POLB (0.44) TP53MAPTKMT2ALMNAALDH1A1

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 SMN1; SMN2 3843/4885RAB9A 2196/4885NPC1 4269/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SMN1; SMN2 3843/4885RAB9A 2196/4885NPC1 4269/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SMN1; SMN2 3843/4885RAB9A 2196/4885NPC1 4269/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SMN1; SMN2 3843/4885RAB9A 2196/4885NPC1 4269/4885

“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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