Sugi Predict

Sugi Predict / Compounds / SCHEMBL1659646

SCHEMBL1659646

SCHEMBL1659646

O=C(c1cnc(C#Cc2ccc(Cl)cc2)s1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.61
▸ PHGDH O43175 1/20 0.49
▸ AKR1C3 P42330 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTR2C P28335 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL1657960 0.89 GRM5 (0.76) GRM5HPGDTP53NPC1RAB9A
SCHEMBL1658404 0.88 GRM5 (0.61) GRM5AKR1C3HPGDHTR2CNPC1
SCHEMBL1657707 0.88 GRM5 (0.61) GRM5AKR1C3HPGDHTR2CNPC1
SCHEMBL1657512 0.88 GRM5 (0.78) GRM5AKR1C3HPGDTP53NPC1
SCHEMBL1660259 0.88 GRM5 (0.78) GRM5HPGDHTR2CNPC1RAB9A
SCHEMBL1658100 0.87 GRM5 (0.66) GRM5AKR1C3HPGDHTR2CNPC1
SCHEMBL1657761 0.85 GRM5 (0.60) GRM5HTR2CMAPT
SCHEMBL1658473 0.84 GRM5 (0.58) GRM5HPGDTP53NPC1RAB9A
SCHEMBL1659908 0.82 GRM5 (0.56) GRM5AKR1C3HPGDHTR2CNPC1
SCHEMBL1657693 0.80 GRM5 (0.59) GRM5HPGDHTR2CNPC1RAB9A

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
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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885PHGDH 2927/4885AKR1C3 1345/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 GRM5 3131/4885PHGDH 2927/4885AKR1C3 1345/4885

“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.