SCHEMBL3342632

SCHEMBL3342632

C=CCc1cc(Cl)c(C(N)=NO)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL3342629 1.00 USP2 (0.35) USP2LMNAALOX15GAAGFER
SCHEMBL3343017 0.74 GAA (0.40) LMNAGAA
SCHEMBL3343021 0.74 GAA (0.40) LMNAGAA
SCHEMBL3342637 0.72 HPGD (0.33) GABRA1GABRB2PTGDRPTGDR2
SCHEMBL1739395 0.71 GABRA1 (0.35) LMNAGAAGFERGABRA1GABRB2
SCHEMBL1739396 0.71 GABRA1 (0.35) LMNAGAAGFERGABRA1GABRB2
SCHEMBL11766536 0.70 GABRA1 (0.40) ALOX15GAAGABRA1GABRB2PTGDR
SCHEMBL3843623 0.70 GABRA1 (0.52) LMNAALOX15GAAGABRA1GABRB2
SCHEMBL4633136 0.69 GABRA1 (0.36) GAAGABRA1GABRB2PTGDRPTGDR2
SCHEMBL3340572 0.67 ALDH1A1 (0.49) USP2LMNAALOX15GAA

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-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 USP2 4457/4885LMNA 2187/4885ALOX15 293/4885

“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.