SCHEMBL953206

SCHEMBL953206

O=C(NCc1ccccc1)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.69
HDAC1 Q13547 1/20 0.65
TSHR P16473 3/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
CTRB1 P17538 1/20 0.65
PRCP P42785 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 3/20 0.63
FKBP1A P62942 1/20 0.63
PKM P14618 1/20 0.63
CYP2C19 P33261 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GFER P55789 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL953204 1.00 KMT2A (0.69) KMT2AHDAC1TSHRCYP3A4CYP2C9
SCHEMBL10952307 0.89 PRCP (0.68) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL9564581 0.89 KMT2A (0.67) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL11315897 0.89 KMT2A (0.70) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL10369207 0.89 KMT2A (0.70) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL9564578 0.89 KMT2A (0.67) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL7265572 0.88 TSHR (0.68) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL7265578 0.88 TSHR (0.68) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL12234864 0.87 KMT2A (0.65) KMT2ATSHRCYP3A4CYP2C9MAPT
SCHEMBL10954962 0.87 PRCP (0.75) KMT2ATSHRCYP3A4CYP2C9MAPT

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-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 KMT2A 1882/4885HDAC1 3308/4885TSHR 916/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 KMT2A 2872/4885HDAC1 2583/4885TSHR 1012/4885

“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.