SCHEMBL1657235

SCHEMBL1657235

O=C(O)c1cnc(C#Cc2ccc(Cl)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
FFAR2 O15552 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PRNP P04156 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
PPARG P37231 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ACACB O00763 1/20 0.37

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 0.86 GRM5 (0.64) GRM5HCAR2FFAR1
SCHEMBL1657505 0.85 GRM5 (0.50) GRM5NPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL1659750 0.85 GRM5 (0.50) GRM5NPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL1659707 0.83 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2HAO1
SCHEMBL30054684 0.80 GRM5 (0.52) GRM5NPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL1658405 0.80 CDC7 (0.48) GRM5NPC1RAB9ASMN1; SMN2PRNP
SCHEMBL1657960 0.80 GRM5 (0.76) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1657823 0.80 NPC1 (0.53) GRM5NPC1RAB9AMAPTPPARG
SCHEMBL1657512 0.79 GRM5 (0.78) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1659646 0.77 GRM5 (0.61) GRM5NPC1RAB9ASMN1; SMN2MAPT

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 3131/4885FFAR2 1677/4885NPC1 508/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885FFAR2 1677/4885NPC1 508/4885

“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.