Sugi Predict

Sugi Predict / Compounds / SCHEMBL1659667

SCHEMBL1659667

SCHEMBL1659667

O=C(NC1CCCC1)c1cnc(C#Cc2ccc(F)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ GRM5 P41594 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ ESR1 P03372 1/20 0.42
▸ ESRRG P62508 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX1 P07099 1/20 0.41

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
SCHEMBL1658542 0.88 RAB9A (0.49) RAB9ANPC1GRM5HPGDALDH1A1
SCHEMBL1657965 0.88 GRM5 (0.60) RAB9ANPC1GRM5HPGDALDH1A1
SCHEMBL1658005 0.87 GRM5 (0.61) RAB9ANPC1GRM5HPGDALDH1A1
SCHEMBL1657931 0.86 GRM5 (0.61) RAB9ANPC1GRM5SMN1; SMN2MEN1
SCHEMBL15227741 0.83 GRM5 (0.42) RAB9ANPC1GRM5SMN1; SMN2
SCHEMBL1657252 0.83 GRM5 (0.57) RAB9ANPC1GRM5HPGDSMN1; SMN2
SCHEMBL1657238 0.81 L3MBTL1 (0.44) RAB9ANPC1GRM5HPGDALDH1A1
Cyclopentanamine SCHEMBL15227740 0.80 GRM5 (0.46) RAB9ANPC1GRM5ALDH1A1SMN1; SMN2
SCHEMBL1658409 0.80 RAB9A (0.50) RAB9ANPC1GRM5HPGDALDH1A1
SCHEMBL1657349 0.80 L3MBTL1 (0.51) RAB9ANPC1GRM5ESR1ESRRG

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 8 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-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-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 RAB9A 1701/4885NPC1 508/4885GRM5 3131/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 RAB9A 1701/4885NPC1 508/4885GRM5 3131/4885

“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.