SCHEMBL144113

SCHEMBL144113

CCOC(=O)Nc1ccc(C(=O)N2CCCC(c3ccc4c(c3)OCO4)=N2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 7/20 0.48
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 6/20 0.47
GAA P10253 1/20 0.47
PGR P06401 4/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
USP2 O75604 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL6604801 0.91 ALDH1A1 (0.49) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6603502 0.87 MAPT (0.56) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL144112 0.85 ALDH1A1 (0.45) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL143053 0.84 MAOB (0.50) CYP2C19HTTMAPTALDH1A1GAA
SCHEMBL145108 0.82 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL6600744 0.81 AHR (0.61) RAB9ANPC1CYP1A2CYP3A4HTT
SCHEMBL6606418 0.81 MAPT (0.50) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL6604062 0.80 MAPT (0.48) RAB9ANPC1MAPTTSHRALDH1A1
SCHEMBL146917 0.80 ALDH1A1 (0.45) ALDH1A1GAAPGRHPGDPOLB
SCHEMBL144189 0.80 ALDH1A1 (0.45) CYP1A2CYP2C9CYP2C19MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 US claimed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 US disclosed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US disclosed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 RAB9A 2690/4885NPC1 2593/4885CYP1A2 4682/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 RAB9A 2690/4885NPC1 2593/4885CYP1A2 4682/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 RAB9A 1923/4885NPC1 3737/4885CYP1A2 680/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C RAB9A 2408/4885NPC1 3669/4885CYP1A2 481/4885

“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.