SCHEMBL5126930

SCHEMBL5126930

CCOC(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
NFKB1 P19838 4/20 0.48
FOS P01100 3/20 0.48
JUN P05412 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATF1 P18846 1/20 0.46
CSNK1D P48730 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL8395412 0.88 FOS (0.60) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5118532 0.87 ALDH1A1 (0.55) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL12929531 0.85 ALDH1A1 (0.66) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5114768 0.82 ALDH1A1 (0.50) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5280707 0.81 KMT2A (0.40) KDM4EMAPTALDH1A1NFKB1FOS
SCHEMBL5126871 0.81 ALDH1A1 (0.46) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11785304 0.78 ALDH1A1 (0.60) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4849077 0.78 ALDH1A1 (0.76) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4181661 0.78 ALDH1A1 (0.51) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5126330 0.78 CYP1A2 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 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-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof DPYD, TYMP, TYMS KDM4E 3188/4885MAPT 4222/4885ALDH1A1 489/4885

“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.