SCHEMBL15086705

SCHEMBL15086705

COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KLK3 P07288 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SCD O00767 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40

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 0.84 MAOB (0.61) HPGDALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL15086743 0.82 MAOB (0.60) KMT2APKMSMN1; SMN2MAOBNPC1
SCHEMBL15086775 0.82 HPGD (0.52) HPGDALDH1A1MEN1KMT2APKM
SCHEMBL15086772 0.81 MAOB (0.50) HPGDALDH1A1PKMSMN1; SMN2MAOB
SCHEMBL14484809 0.81 ALDH1A1 (0.46) HPGDALDH1A1KMT2APKMKLK3
SCHEMBL15086703 0.80 ALDH1A1 (0.43) HPGDALDH1A1MEN1KMT2APKM
SCHEMBL15086733 0.79 GFER (0.49) HPGDALDH1A1MEN1KMT2APKM
SCHEMBL14484343 0.79 ALDH1A1 (0.51) HPGDALDH1A1MEN1KMT2APKM
SCHEMBL15086801 0.78 PTGS2 (0.53) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL15086798 0.78 CASP3 (0.53) HPGDALDH1A1CYP1A2CYP2C9CYP2C19

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 HPGD 2327/4885ALDH1A1 3510/4885MEN1 3308/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR HPGD 2327/4885ALDH1A1 3510/4885MEN1 3308/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR HPGD 2327/4885ALDH1A1 3510/4885MEN1 3308/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR HPGD 2327/4885ALDH1A1 3510/4885MEN1 3308/4885

“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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