SCHEMBL6745677

SCHEMBL6745677

C=CCOc1cc(CCl)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.44
SLC2A1 P11166 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
TTR P02766 1/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL2074825 0.88 SLC2A1 (0.52) KMT2AMEN1ATMSLC2A1POLB
SCHEMBL12635299 0.83 MAPK1 (0.53) KMT2AMEN1LMNASMN1; SMN2RAB9A
SCHEMBL4879810 0.79 ALDH1A1 (0.56) KMT2AMEN1ATMPOLBLMNA
SCHEMBL5387584 0.79 TTR (0.65) BCHEKMT2AMEN1LMNATTR
SCHEMBL6672350 0.79 TTR (0.60) BCHEKMT2AMEN1LMNASIRT2
SCHEMBL10719571 0.79 MAPT (0.49) BCHELMNASMN1; SMN2NPC1RAB9A
Phosphine SCHEMBL4434544 0.78 TTR (0.59) BCHEKMT2AMEN1LMNASIRT2
SCHEMBL11093699 0.78 TTR (0.59) BCHEKMT2AMEN1LMNASIRT2
SCHEMBL28750152 0.77 APP (0.50) SLC2A1LMNATTR
SCHEMBL6743221 0.76 C5AR1 (0.49) KMT2AMEN1ATMSLC2A1ALDH1A1

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 4 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
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 BCHE 2296/4885KMT2A 693/4885MEN1 2577/4885

“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.