SCHEMBL10276428

SCHEMBL10276428

Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc2[nH]c(-c3ccc(F)cc3F)cc(=O)n2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP2 O95551 2/20 0.34
APP P05067 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
LDHA P00338 1/20 0.32
LMNA P02545 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
SCHEMBL10282683 0.86 RAD51 (0.44) RAD51ALDH1A1HPGDKDM4EMAPT
SCHEMBL10275874 0.79 MAPT (0.42) ALDH1A1HPGDTHRBKDM4EMAPT
SCHEMBL10275827 0.78 ALDH1A1 (0.47) ALDH1A1HPGDMEN1THRBKMT2A
SCHEMBL2637446 0.72 RAD51 (0.43) RAD51ALDH1A1KDM4ERAB9ALMNA
SCHEMBL10275482 0.71 PLAT (0.40) RAD51ALDH1A1HPGDMEN1THRB
SCHEMBL10275525 0.68 LDHA (0.35) RAD51ALDH1A1HPGDMEN1THRB
SCHEMBL10276239 0.67 PDE3B (0.33) TDP2PSDPDE3BPDE3A
SCHEMBL10276122 0.67 PLAT (0.40) RAD51MAPTNPC1RAB9AAPP
SCHEMBL16900276 0.66 APP (0.57) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL10275912 0.65 GCGR (0.36) RAD51ALDH1A1HPGDTHRBKMT2A

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 RAD51 1465/4885ALDH1A1 572/4885HPGD 1664/4885

“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.