SCHEMBL1659779

SCHEMBL1659779

O=C(c1cnc(Br)s1)N1CCCC(F)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.44
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
GRM5 P41594 1/20 0.38
GRIN2B Q13224 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
CHRM4 P08173 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1659661 0.84 L3MBTL3 (0.41) VNN1HPGDPOLBGRM5RECQL
SCHEMBL1658448 0.81 HPGD (0.57) HPGDPOLBGRM5ALDH1A1MAPT
SCHEMBL12789956 0.80 HDAC1 (0.48) VNN1POLBGRM5ALDH1A1HSP90AA1
SCHEMBL1657851 0.79 HPGD (0.56) HPGDPOLBGRM5ALDH1A1MAPT
SCHEMBL1656782 0.77 GRM5 (0.72) VNN1GRM5
SCHEMBL17728958 0.73 ALDH1A1 (0.60) HPGDPOLBALDH1A1LMNA
SCHEMBL12789076 0.73 HDAC1 (0.51) HPGDGRM5ALDH1A1HSP90AA1MAPT
SCHEMBL12790033 0.73 HDAC1 (0.51) HPGDGRM5ALDH1A1HSP90AA1MAPT
SCHEMBL31482130 0.73 ADRA1A (0.56)
SCHEMBL31694976 0.72 HTR2C (0.41) VNN1HPGDPOLBGRM5RECQL

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 VNN1 4322/4885HPGD 1114/4885POLB 4543/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 VNN1 4322/4885HPGD 1114/4885POLB 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.