SCHEMBL14553543

SCHEMBL14553543

COc1ccc(C2=NN(C(=O)c3ccc4c(c3)CCO4)CC2(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ERN1 O75460 1/20 0.43
▸ GPR183 P32249 1/20 0.42
▸ MAOB P27338 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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 0.90 SMN1; SMN2 (0.54) ALDH1A1LMNATSHRSMN1; SMN2NPC1
SCHEMBL15086784 0.86 SMN1; SMN2 (0.49) ALDH1A1LMNATSHRSMN1; SMN2NPC1
SCHEMBL14484720 0.85 MAOB (0.42) ALDH1A1LMNATSHRSMN1; SMN2MAOB
SCHEMBL14484361 0.82 NR1H4 (0.42) ALDH1A1LMNATSHRSMN1; SMN2GPR183
SCHEMBL14553623 0.82 MAOB (0.43) ALDH1A1LMNASMN1; SMN2MAOBMAPK1
SCHEMBL14484458 0.82 MAOB (0.60) ALDH1A1LMNATSHRSMN1; SMN2ERN1
SCHEMBL14553652 0.81 HTT (0.45) ALDH1A1LMNASMN1; SMN2MAOBRAB9A
SCHEMBL27958547 0.81 MAPT (0.49) ALDH1A1LMNAMAOBNPC1MAPT
SCHEMBL14484348 0.81 MAOB (0.41) ALDH1A1LMNASMN1; SMN2MAOBRAB9A
SCHEMBL14484428 0.80 POLB (0.44) ALDH1A1LMNAMAOBMAPK1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 — — US disclosed
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-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-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-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-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
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 — — US disclosed
WO-2013006308-A2 DIHYDROPYRAZOLES MERCK PATENT GMBH (DE) 2013-01-10 — — WO 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 ALDH1A1 3510/4885LMNA 3712/4885TSHR 43/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR ALDH1A1 3510/4885LMNA 3712/4885TSHR 43/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR ALDH1A1 3510/4885LMNA 3712/4885TSHR 43/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR ALDH1A1 3510/4885LMNA 3712/4885TSHR 43/4885

“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