SCHEMBL1658413

SCHEMBL1658413

OC1CCN(Cc2cnc(C#Cc3ccccc3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.46
OGA O60502 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 1/20 0.39
ACKR3 P25106 1/20 0.39
GAA P10253 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
SCHEMBL1658480 0.89 GRM5 (0.45) GRM5OGASMN1; SMN2HTTALDH1A1
SCHEMBL1659148 0.88 ALDH1A1 (0.56) GRM5OGASMN1; SMN2HTTALDH1A1
SCHEMBL1659965 0.86 GRM5 (0.50) GRM5OGASMN1; SMN2HTTALDH1A1
SCHEMBL1657728 0.86 GRM5 (0.53) GRM5SMN1; SMN2ALDH1A1LMNARECQL
SCHEMBL1657724 0.85 GRM5 (0.55) GRM5SMN1; SMN2ALDH1A1LMNARECQL
SCHEMBL1657184 0.84 GRM5 (0.42) GRM5OGASMN1; SMN2HTTALDH1A1
SCHEMBL1657187 0.84 GRM5 (0.42) GRM5OGASMN1; SMN2HTTALDH1A1
SCHEMBL1658093 0.84 GRM5 (0.42) GRM5OGASMN1; SMN2HTTALDH1A1
SCHEMBL1658169 0.84 SMN1; SMN2 (0.52) GRM5SMN1; SMN2HTTALDH1A1NPC1
SCHEMBL1657377 0.82 ALDH1A1 (0.49) GRM5OGASMN1; SMN2ALDH1A1NPC1

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 14 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 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
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 3131/4885OGA 4667/4885SMN1; SMN2 2018/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885OGA 4667/4885SMN1; SMN2 2018/4885

“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.