Sugi Predict

Sugi Predict / Compounds / SCHEMBL1657201

SCHEMBL1657201

SCHEMBL1657201

O=C(c1cnc(C#Cc2cc(F)cc(F)c2)s1)N1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.70
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SLC8A1 P32418 2/20 0.36

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
SCHEMBL1657051 0.89 GRM5 (0.75) GRM5ALDH1A1POLBSMN1; SMN2
SCHEMBL1657950 0.88 GRM5 (0.78) GRM5ALDH1A1POLBHPGDHTT
SCHEMBL1658131 0.87 GRM5 (0.73) GRM5ALDH1A1POLBSMN1; SMN2RIPK1
SCHEMBL12731041 0.86 GRM5 (0.76) GRM5ALDH1A1POLBHPGDHTT
SCHEMBL1658211 0.84 GRM5 (0.80) GRM5ALDH1A1POLBHPGDNPSR1
SCHEMBL1657364 0.82 GRM5 (1.00) GRM5ALDH1A1HPGDSLC8A1
SCHEMBL1658229 0.82 GRM5 (1.00) GRM5ALDH1A1HPGDSLC8A1
SCHEMBL1657011 0.82 GRM5 (0.73) GRM5ALDH1A1POLBHPGDTHRA
SCHEMBL12731368 0.81 GRM5 (0.61) GRM5ALDH1A1POLBHPGDHTT
SCHEMBL1657521 0.81 GRM5 (0.97) GRM5

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440837-B2 2-substituted-ethynylthiazole derivatives and uses of same H. LUNDBECK A/S (DK) 2013-05-14 — — US 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
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
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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885ALDH1A1 99/4885POLB 4543/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885ALDH1A1 99/4885POLB 4543/4885

“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.