SCHEMBL1659707

SCHEMBL1659707

O=C(O)c1cnc(C#Cc2cccc(Cl)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.49
CYP2C9 P11712 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
HAO1 Q9UJM8 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGES O14684 1/20 0.40
PTPRC P08575 1/20 0.40
KCNH2 Q12809 1/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1657080 0.84 GRM5 (0.64) GRM5
SCHEMBL1657915 0.84 GRM5 (0.49) GRM5
SCHEMBL1658000 0.84 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2PTGES
SCHEMBL1657235 0.83 GRM5 (0.50) GRM5PTGDR2HAO1NPC1RAB9A
SCHEMBL1657703 0.82 GRM5 (0.73) GRM5NPC1RAB9A
SCHEMBL1657766 0.82 GRM5 (0.52) GRM5CYP2C9PTGDR2NPC1RAB9A
SCHEMBL1656777 0.81 GRM5 (0.75) GRM5NPC1RAB9A
SCHEMBL1657349 0.80 L3MBTL1 (0.51) GRM5NPC1RAB9A
SCHEMBL1657004 0.80 GRM5 (0.42) GRM5CYP2C9PTGDR2NPC1POLB
SCHEMBL1658423 0.79 GRM5 (0.59) GRM5NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2490541-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-08-29 EP 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

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-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885CYP2C9 43/4885PTGDR2 474/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885CYP2C9 43/4885PTGDR2 474/4885

“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.