SCHEMBL7928146

SCHEMBL7928146

CNC(=S)NC1CCCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.73
ALDH1A1 P00352 2/20 0.73
TP53 P04637 1/20 0.73
SMN1; SMN2 Q16637 4/20 0.65
LMNA P02545 2/20 0.61
GAA P10253 2/20 0.61
HTT P42858 1/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX12 P18054 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48

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
SCHEMBL19705886 1.00 CYP3A4 (0.73) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL19705885 1.00 CYP3A4 (0.73) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL26940074 1.00 CYP3A4 (0.73) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL19705884 1.00 CYP3A4 (0.73) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL8395652 1.00 CYP3A4 (0.73) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL19705995 1.00 CYP3A4 (0.73) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL14564699 0.98 CYP3A4 (0.68) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL8396968 0.93
SCHEMBL23591881 0.88 CYP3A4 (0.57) CYP3A4ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL1544580 0.87

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998989-B2 2-Imino-1,3-thiazoline-based compounds and T-type calcium channel inhibitors containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-08-16 US disclosed
US-7998989-B2 2-Imino-1,3-thiazoline-based compounds and T-type calcium channel inhibitors containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-08-16 US disclosed
US-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-11-27 US disclosed
US-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-11-27 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 (1 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-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME CACNA1I, CACNA1H, CACNA1G CYP3A4 4138/4885ALDH1A1 2247/4885TP53 4041/4885

“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.