SCHEMBL6741846

SCHEMBL6741846

COc1cc(CNc2nc(C)nc(C)c2Cl)cc(Oc2ccc3ncc([N+](=O)[O-])n3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
PRKCQ Q04759 2/20 0.35
GAA P10253 3/20 0.33
FYN P06241 2/20 0.33
MAPK1 P28482 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
CDK1 P06493 1/20 0.31
TSHR P16473 1/20 0.31
PIN1 Q13526 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6745061 0.91 ALDH1A1 (0.31) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL6742101 0.89 ALDH1A1 (0.40) ALDH1A1MAPTPOLBKDM4ENPC1
SCHEMBL6740758 0.89 KDM4E (0.36) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL6744173 0.89 GAA (0.39) SMN1; SMN2GAAFYNMAPK1LMNA
SCHEMBL6741017 0.87 GAA (0.42) SMN1; SMN2GAAFYNMAPK1LMNA
SCHEMBL6739835 0.87 STAT3 (0.39) MAPTSMN1; SMN2GAAMAPK1LMNA
SCHEMBL6745669 0.86 TSHR (0.43) SMN1; SMN2GAAFYNMAPK1KMT2A
SCHEMBL6739659 0.86 TSHR (0.43) SMN1; SMN2GAAFYNMAPK1KMT2A
SCHEMBL6741831 0.86 TSHR (0.36) ALDH1A1MAPTHTTHSD17B10SMN1; SMN2
SCHEMBL6745661 0.85 KDM4E (0.34) ALDH1A1MAPTHTTKDM4ENPC1

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 ALDH1A1 355/4885MAPT 4405/4885HTT 447/4885

“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.