SCHEMBL18539741

SCHEMBL18539741

CC(F)(F)OC(F)(F)COCc1nc(-c2ccccc2)ncc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.44
KMT2A Q03164 10/20 0.44
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 2/20 0.38

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
SCHEMBL18539742 0.92 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18539737 0.89 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18549679 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18539735 0.83 MAPT (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18539731 0.83 HTT (0.37) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL18539733 0.81 NTRK1 (0.37) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL18550813 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18539734 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18549304 0.76 ALDH1A1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18550141 0.72 NR1H2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2017-02-23 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-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION CYP2B6, PFAS, CYP2F1 MEN1 4774/4885KMT2A 3540/4885ALDH1A1 1430/4885

“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.