SCHEMBL10064874

SCHEMBL10064874

CNc1ncccc1-c1noc(C(Cc2ccc(C)c(C)c2)c2cccc(N=O)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.35
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
TP53 P04637 1/20 0.31
HIF1A Q16665 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
SCHEMBL9106229 0.89 MAPT (0.41) PTPN1MAPTTSHRPOLBPDE4A
SCHEMBL9109831 0.89 PTPN1 (0.42) PTPN1MAPTTSHRPOLBTP53
SCHEMBL9105461 0.88 MAPT (0.40) PTPN1MAPTTSHRPOLBPDE4A
SCHEMBL9109029 0.88 TSHR (0.36) PTPN1MAPTTSHRPOLBPDE4A
SCHEMBL9105480 0.88 PTPN1 (0.38) PTPN1MAPTTSHRPOLBPDE4A
SCHEMBL9109162 0.88 PTPN1 (0.36) PTPN1MAPTTSHRPOLBPDE4A
SCHEMBL9104028 0.86 S1PR3 (0.38) PTPN1MAPTPDE4APDE4BPDE4C
SCHEMBL9110851 0.86 MAPT (0.39) PTPN1MAPTPDE4APDE4BPDE4D
SCHEMBL9105460 0.86 MAPT (0.36) PTPN1MAPTTSHRPOLBTP53
SCHEMBL10032054 0.85 MDM2 (0.35) MAPTTP53

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-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 PTPN1 706/4885MAPT 2922/4885TSHR 379/4885

“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.