SCHEMBL6740758

SCHEMBL6740758

Cc1nc(C)c(Cl)c(NCc2ccc(Oc3ccc4ncc([N+](=O)[O-])n4n3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GAA P10253 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
EGFR P00533 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6745661 0.96 KDM4E (0.34) KDM4EGAAALDH1A1HTTNPC1
SCHEMBL6742101 0.90 ALDH1A1 (0.40) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL6882952 0.90 ALDH1A1 (0.31) GAAALDH1A1CYP1A2CYP2C9
SCHEMBL6741846 0.89 ALDH1A1 (0.40) KDM4EGAAALDH1A1HTTNPC1
Hydrochloric Acid SCHEMBL6882939 0.89 ALDH1A1 (0.31) GAAALDH1A1CYP1A2CYP2C9
SCHEMBL6745061 0.88 ALDH1A1 (0.31) KDM4EGAAALDH1A1HTTNPC1
SCHEMBL6741898 0.88 TSHR (0.34) GAAALDH1A1
SCHEMBL6742027 0.88 TSHR (0.35) GAAALDH1A1CYP1A2CYP2C9
SCHEMBL6741815 0.87 FYN (0.36) GAAALDH1A1
SCHEMBL6739659 0.87 TSHR (0.43) GAAKMT2ASMN1; SMN2

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 8 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 claimed
US-20040152714-A1 Benzylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-05 US claimed
EP-1395594-A1 NEW BENZYLAMINOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-03-10 EP claimed
WO-2002094832-A1 NEW BENZYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 WO claimed
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
EP-1395594-A1 NEW BENZYLAMINOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-03-10 EP disclosed
WO-2002094832-A1 NEW BENZYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 WO 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 KDM4E 941/4885GAA 537/4885ALDH1A1 355/4885

“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.