SCHEMBL1795674

SCHEMBL1795674

Nc1ccn(CC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.37
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35

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
Hydrochloric Acid SCHEMBL3293207 0.98 KDM4C (0.45) KDM4CALDH1A1HTTKMT2AMEN1
SCHEMBL1724730 0.84 ALDH1A1 (0.42) KDM4CALDH1A1KMT2AMEN1GAA
SCHEMBL19992733 0.80 KDM4C (0.46) KDM4CALDH1A1HTTKMT2AGAA
SCHEMBL184357 0.78 KDM4E (0.40) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL21825761 0.78 GAA (0.49) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL14676881 0.78 NPSR1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1TDP1
SCHEMBL604399 0.76 GAA (0.54) KDM4CALDH1A1HTTGAAL3MBTL1
SCHEMBL3367567 0.76 KDM4C (0.46) KDM4CALDH1A1HTTKMT2AGAA
SCHEMBL31373302 0.76 KDM4C (0.58) KDM4CALDH1A1HTTKMT2AGAA
SCHEMBL31373301 0.76 KDM4C (0.58) KDM4CALDH1A1HTTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP disclosed
WO-2014112799-A1 PHENOXYBENZAMIDE GLUCOKINASE ACTIVATOR CONTAINING NOVEL HETEROARYL AND METHOD FOR PREPARING SAME 주식회사유한양행 (KR) 2014-07-24 WO disclosed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 KDM4C 632/4885ALDH1A1 1349/4885HTT 3242/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA KDM4C 905/4885ALDH1A1 4734/4885HTT 552/4885

“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.