SCHEMBL6794012

SCHEMBL6794012

NCc1ccc(/C(N)=N\C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 2/20 0.43
F2 P00734 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TPSAB1 Q15661 2/20 0.40
TPH1 P17752 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
ABAT P80404 1/20 0.40
PLAU P00749 2/20 0.40

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
SCHEMBL6794018 1.00 HDAC3 (0.48) HDAC3HDAC6NCOR2LOXL2F10
SCHEMBL15599673 0.77 MAPT (0.54) SMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL17504830 0.77 MAPT (0.54) SMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL5177381 0.76 LMNA (0.45) LOXL2SMN1; SMN2PLA2G10PLA2G2APLAU
SCHEMBL5045569 0.76 LMNA (0.45) LOXL2SMN1; SMN2PLA2G10PLA2G2APLAU
SCHEMBL5154701 0.75 LOXL2 (0.56) HDAC3HDAC6NCOR2LOXL2F10
SCHEMBL4253164 0.75 LOXL2 (0.56) HDAC3HDAC6NCOR2LOXL2F10
SCHEMBL4253161 0.75 LOXL2 (0.56) HDAC3HDAC6NCOR2LOXL2F10
Hydrochloric Acid SCHEMBL5045565 0.75 MAOB (0.45) HDAC3SMN1; SMN2PLA2G10PLA2G2APLAU
Hydrochloric Acid SCHEMBL5045567 0.75 MAOB (0.45) HDAC3SMN1; SMN2PLA2G10PLA2G2APLAU

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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG HDAC3 466/4885HDAC6 2119/4885NCOR2 3243/4885

“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.