SCHEMBL15088313

SCHEMBL15088313

COc1ccc(C2=NN(C(=O)Nc3ccc4c(c3)OCO4)CC2(C)C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ THRB P10828 1/20 0.57
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ TP53 P04637 3/20 0.55
▸ PKM P14618 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ POLB P06746 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL15086784 0.84 SMN1; SMN2 (0.49) MAPTKMT2ATHRBNPC1RAB9A
SCHEMBL15088298 0.82 MAPT (0.58) MAPTKMT2ATHRBNPC1RAB9A
SCHEMBL15088296 0.81 MAPT (0.60) MAPTKMT2ATHRBNPC1RAB9A
SCHEMBL15088324 0.81 MAPT (0.48) MAPTKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL14553656 0.78 KMT2A (0.41) MAPTKMT2ATHRBNPC1RAB9A
SCHEMBL14553703 0.78 SMN1; SMN2 (0.54) MAPTKMT2ANPC1RAB9ATP53
SCHEMBL14553543 0.72 ALDH1A1 (0.46) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14484483 0.72 POLB (0.48) MAPTKMT2ARAB9AMEN1MAPK1
SCHEMBL4328270 0.72 MAPT (0.51) MAPTKMT2ATHRBNPC1RAB9A
SCHEMBL14487242 0.71 KMT2A (0.52) MAPTKMT2AMAPK1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAPT 4055/4885KMT2A 2373/4885THRB 438/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAPT 4055/4885KMT2A 2373/4885THRB 438/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAPT 4055/4885KMT2A 2373/4885THRB 438/4885

“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.

Send feedback