SCHEMBL7898409

SCHEMBL7898409

[C-]#[N+]c1c(NC2CC2)nc(-c2ccc(OC)c(S(N)(=O)=O)c2)nc1SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 1/20 0.39
SYK P43405 2/20 0.39
CNR2 P34972 1/20 0.37
ENPP3 O14638 1/20 0.37
CA4 P22748 1/20 0.36
BRD4 O60885 2/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
PKM P14618 1/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35

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
SCHEMBL7899416 0.88 CA2 (0.40) CA12CA2CA9CA1ENPP3
SCHEMBL4748833 0.84 CA12 (0.40) CA12CA2CA9CA1SYK
SCHEMBL7892682 0.81 SYK (0.44) CA12CA2CA9CA1SYK
SCHEMBL7900089 0.77 CA2 (0.46) CA12CA2CA9CA1CA4
SCHEMBL7903597 0.73 ALDH1A1 (0.45) CA12CA2CA9CA1USP2
SCHEMBL4748211 0.72 NPSR1 (0.41) CA12CA2CA9CA1ENPP3
SCHEMBL7898133 0.68 CA9 (0.40) CA12CA2CA9CA1ENPP3
SCHEMBL7892625 0.67 BRD4 (0.49) SYKBRD4BRD2BRD3PKM
SCHEMBL4788376 0.65 FLT3 (0.40) CA12CA2CA9BRD4HSD17B10
SCHEMBL4748170 0.64 CA2 (0.46) CA12CA2CA9CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S CA12 3795/4885CA2 2732/4885CA9 3052/4885

“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.