SCHEMBL7899016

SCHEMBL7899016

O=C(NCC/C=C\C1(C(=O)O)CC1)C(c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 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
SCHEMBL7906089 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL516964 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL7905584 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL516963 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL10176605 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRL3MBTL1
Bicarbonate SCHEMBL16457686 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRL3MBTL1
Bicarbonate SCHEMBL16457548 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL7907646 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL10227019 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRL3MBTL1
Bicarbonate SCHEMBL16457190 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406215-B1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2014-04-16 EP disclosed
EP-2406215-B1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2014-04-16 EP disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
WO-2010102717-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-16 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 (1 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-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 MEN1 3857/4885KMT2A 2995/4885ALDH1A1 625/4885

“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.