SCHEMBL1658286 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	GRM5	P41594	5/20	0.54

▸	TRPC3	Q13507	2/20	0.48

▸	TRPC6	Q9Y210	2/20	0.48

▸	HSD11B1	P28845	2/20	0.44

▸	HPGD	P15428	4/20	0.43

▸	ALDH1A1	P00352	3/20	0.43

▸	NPSR1	Q6W5P4	2/20	0.43

▸	CYP1A2	P05177	1/20	0.43

▸	CYP3A4	P08684	1/20	0.43

▸	CYP2D6	P10635	1/20	0.43

▸	CYP2C9	P11712	1/20	0.43

▸	CYP2C19	P33261	1/20	0.43

▸	HTT	P42858	1/20	0.43

▸	NPC1	O15118	2/20	0.43

▸	RAB9A	P51151	2/20	0.43

▸	ACHE	P22303	1/20	0.42

▸	POLB	P06746	1/20	0.40

▸	RXFP1	Q9HBX9	1/20	0.40

▸	TP53	P04637	1/20	0.39

▸	SMN1; SMN2	Q16637	3/20	0.39

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
SCHEMBL1659733	0.90	GRM5 (0.55)	GRM5TRPC3TRPC6RAB9ATP53
SCHEMBL1657576	0.88	GRM5 (0.55)	GRM5TRPC3TRPC6HPGDALDH1A1
SCHEMBL1657758	0.88	GRM5 (0.69)	GRM5HPGDALDH1A1NPC1RAB9A
SCHEMBL1658083	0.87	GRM5 (0.54)	GRM5TRPC3TRPC6HPGDALDH1A1
SCHEMBL1657245	0.87	GRM5 (0.71)	GRM5HPGDALDH1A1NPC1RAB9A
SCHEMBL1659908	0.85	GRM5 (0.56)	GRM5HPGDALDH1A1NPC1RAB9A
SCHEMBL1658486	0.84	GRM5 (0.74)	GRM5ACHE
SCHEMBL1658473	0.83	GRM5 (0.58)	GRM5TRPC3TRPC6HSD11B1HPGD
SCHEMBL12731049	0.81	GRM5 (0.57)	GRM5TRPC3TRPC6SMN1; SMN2
SCHEMBL1658435	0.80	GRM5 (0.55)	GRM5ALDH1A1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8440837-B2	2-substituted-ethynylthiazole derivatives and uses of same	H. LUNDBECK A/S (DK)	2013-05-14	—	—	US	claimed
EP-2490541-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. Lundbeck A/S (DK)	2012-08-29	—	—	EP	claimed
WO-2011050063-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2011-04-28	—	—	WO	claimed
US-20110092475-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2011-04-21	—	—	US	claimed
US-20130231321-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2013-09-05	—	—	US	disclosed
US-20130231321-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2013-09-05	—	—	US	disclosed
US-20130231321-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2013-09-05	—	—	US	disclosed
US-8440837-B2	2-substituted-ethynylthiazole derivatives and uses of same	H. LUNDBECK A/S (DK)	2013-05-14	—	—	US	disclosed
US-8440837-B2	2-substituted-ethynylthiazole derivatives and uses of same	H. LUNDBECK A/S (DK)	2013-05-14	—	—	US	disclosed
US-8440837-B2	2-substituted-ethynylthiazole derivatives and uses of same	H. LUNDBECK A/S (DK)	2013-05-14	—	—	US	disclosed
WO-2011050063-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2011-04-28	—	—	WO	disclosed
US-20110092475-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2011-04-21	—	—	US	disclosed
US-20110092475-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	H. LUNDBECK A/S (DK)	2011-04-21	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20130231321-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	SULT1E1, SULT2A1, SULT1A1	GRM5 3131/4885TRPC3 3807/4885TRPC6 2351/4885
US-20110092475-A1	2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME	SULT1E1, SULT2A1, SULT1A1	GRM5 3131/4885TRPC3 3807/4885TRPC6 2351/4885

“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.