SCHEMBL6739835

SCHEMBL6739835

COc1cc(CNc2nc(C)nc(C)c2Cl)cc(Cl)c1Oc1ccc2ncc([N+](=O)[O-])n2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.35
PDE5A O76074 2/20 0.34
HPGD P15428 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
S1PR4 O95977 1/20 0.33
GFER P55789 1/20 0.32

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
SCHEMBL6744173 0.96 GAA (0.39) STAT3LMNAGAAMAPK1SMN1; SMN2
SCHEMBL6741017 0.93 GAA (0.42) STAT3LMNAGAAMAPK1SMN1; SMN2
SCHEMBL6741165 0.92 GAA (0.37) STAT3LMNAGAAMAPK1SMN1; SMN2
SCHEMBL6739659 0.89 TSHR (0.43) LMNAGAAMAPK1SMN1; SMN2TSHR
SCHEMBL6745669 0.89 TSHR (0.43) LMNAGAAMAPK1SMN1; SMN2TSHR
SCHEMBL6741846 0.87 ALDH1A1 (0.40) LMNAGAAMAPK1SMN1; SMN2TSHR
SCHEMBL6741815 0.84 FYN (0.36) GAATSHRPDE5A
SCHEMBL6742027 0.84 TSHR (0.35) GAATSHRPDE5AS1PR4
SCHEMBL6740758 0.84 KDM4E (0.36) GAASMN1; SMN2MAPT
SCHEMBL6745519 0.84 APP (0.36) LMNAGAASMN1; SMN2TSHRPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818642-B2 CAMPYLOBACTER INFECTION TREATMENT ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040152714-A1 Benzylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-05 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-20040152714-A1 Benzylaminopyrimidines DPYD, PGLS, TPMT STAT3 3572/4885LMNA 4585/4885GAA 537/4885

“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.