SCHEMBL2174227 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	4/20	0.57

▸	HPGD	P15428	3/20	0.57

▸	CYP1A2	P05177	1/20	0.57

▸	CYP3A4	P08684	1/20	0.57

▸	CYP2D6	P10635	1/20	0.57

▸	CYP2C9	P11712	1/20	0.57

▸	CYP2C19	P33261	1/20	0.57

▸	MEN1	O00255	3/20	0.48

▸	KMT2A	Q03164	3/20	0.48

▸	IP6K1	Q92551	1/20	0.46

▸	IP6K3	Q96PC2	1/20	0.46

▸	IP6K2	Q9UHH9	1/20	0.46

▸	NPC1	O15118	3/20	0.45

▸	RAB9A	P51151	3/20	0.45

▸	SMN1; SMN2	Q16637	3/20	0.45

▸	TSHR	P16473	2/20	0.45

▸	L3MBTL1	Q9Y468	1/20	0.45

▸	DHODH	Q02127	1/20	0.45

▸	PRKAB2	O43741	1/20	0.44

▸	PRKAG1	P54619	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.

Compound	similarity	top predicted	shared targets
SCHEMBL2173190	0.97	ALDH1A1 (0.54)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5853558	0.88	ALDH1A1 (0.65)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3476666	0.84	L3MBTL1 (0.46)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20794724	0.83	ALDH1A1 (0.61)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3475054	0.83	P2RY14 (0.46)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL2171385	0.82	KDM4E (0.43)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5219110	0.81	ALDH1A1 (0.71)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL2384753	0.81	P2RX3 (0.59)	CYP1A2CYP2D6CYP2C9
SCHEMBL2711478	0.81	P2RY14 (0.46)	ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5854074	0.80	ALDH1A1 (0.54)	ALDH1A1HPGDCYP1A2CYP3A4CYP2D6

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20170056398-A1	SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS	ROCHE PALO ALTO LLC (US)	2017-03-02	—	—	US	claimed
US-8809402-B2	Oxazolone and pyrrolidinone-substituted biphenyls as P2X3 and P2X2/3 antagonists	ROCHE PALO ALTO LLC (US)	2014-08-19	—	—	US	claimed
EP-2445889-A1	NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES	F. Hoffmann-La Roche AG (CH)	2012-05-02	—	—	EP	claimed
WO-2010149541-A1	NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES	F. HOFFMANN-LA ROCHE AG (CH)	2010-12-29	—	—	WO	claimed
US-20100324069-A1	OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS	CHEN LI	2010-12-23	—	—	US	claimed
US-20170056398-A1	SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS	ROCHE PALO ALTO LLC (US)	2017-03-02	—	—	US	disclosed
US-9512112-B2	Substituted pyridines as P2X3 and P2X2/3 antagonists	ROCHE PALO ALTO LLC (US)	2016-12-06	—	—	US	disclosed
US-9133122-B2	Amide compounds, compositions and uses thereof	EVOTEC AG (DE)	2015-09-15	—	—	US	disclosed
US-20140323532-A1	AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF	EVOTEC AG (DE)	2014-10-30	—	—	US	disclosed
US-20140323499-A1	OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS	ROCHE PALO ALTO LLC (US)	2014-10-30	—	—	US	disclosed
US-8809402-B2	Oxazolone and pyrrolidinone-substituted biphenyls as P2X3 and P2X2/3 antagonists	ROCHE PALO ALTO LLC (US)	2014-08-19	—	—	US	disclosed
EP-2445889-A1	NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES	F. Hoffmann-La Roche AG (CH)	2012-05-02	—	—	EP	disclosed
US-20110237578-A1	AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF	EVOTEC AG (DE)	2011-09-29	—	—	US	disclosed
EP-2346825-A2	MODULATORS OF P2X3 RECEPTOR ACTIVITY	Evotec AG (DE)	2011-07-27	—	—	EP	disclosed
WO-2010149541-A1	NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES	F. HOFFMANN-LA ROCHE AG (CH)	2010-12-29	—	—	WO	disclosed
US-20100324069-A1	OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS	CHEN LI	2010-12-23	—	—	US	disclosed
WO-2010033168-A2	AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF	RENOVIS, INC. (US)	2010-03-25	—	—	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 (5 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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20110237578-A1	AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF	ADORA2B, IL1B, AVPR1B	ALDH1A1 1247/4885HPGD 1665/4885CYP1A2 810/4885
US-20140323499-A1	OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS	P2RX3, P2RX2, P2RX1	ALDH1A1 2356/4885HPGD 1562/4885CYP1A2 1606/4885
US-20140323532-A1	AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF	IL1B, ADORA2B, AVPR1B	ALDH1A1 1016/4885HPGD 1641/4885CYP1A2 837/4885
US-20100324069-A1	OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS	P2RX3, P2RX2, P2RX1	ALDH1A1 2356/4885HPGD 1562/4885CYP1A2 1606/4885
US-20170056398-A1	SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS	P2RX3, P2RX2, P2RX7	ALDH1A1 2282/4885HPGD 1491/4885CYP1A2 1428/4885

“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.