SCHEMBL1406875

SCHEMBL1406875

Cn1ncc(C(=O)O)c1-n1cccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A3 Q92570 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL12434763 0.84 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2317402 0.84 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL9911011 0.81 MAPT (0.58) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL1406799 0.78 LMNA (0.44) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL14922175 0.78 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4770722 0.75 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL27886662 0.74 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL2320009 0.73 HSD11B1 (0.56) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL27737544 0.72 NSD2 (0.42) L3MBTL1ALDH1A1KDM4ETDP1KMT2A
SCHEMBL3289895 0.72 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP claimed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US claimed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP claimed
EP-1928840-A1 1H-PYRAZOLE 4-CARBOXYLAMIDES, THEIR PREPARATION AND THEIR USE AS 11BETA-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2008-06-11 EP claimed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO claimed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US claimed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US disclosed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 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 (2 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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 L3MBTL1 4673/4885SMN1; SMN2 3959/4885ALDH1A1 132/4885
US-20060223852-A1 Pyrazoles GPR119, PDK2, PC L3MBTL1 4496/4885SMN1; SMN2 3065/4885ALDH1A1 333/4885

“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.