SCHEMBL10275874

SCHEMBL10275874

O=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(-c3ccc(F)cc3F)ccc(-c3ccccc3)[nH]n12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 1/20 0.36
GLO1 Q04760 1/20 0.35
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
SCN2A Q99250 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL10276428 0.79 RAD51 (0.38) MAPTTHRBHPGDLMNAALDH1A1
SCHEMBL2637446 0.77 RAD51 (0.43) LMNAALDH1A1SMN1; SMN2GLO1SCN2A
SCHEMBL10275827 0.73 ALDH1A1 (0.47) MAPTTP53THRBHPGDLMNA
SCHEMBL10275925 0.73 PLAT (0.40) MAPTHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL10282683 0.72 RAD51 (0.44) MAPTTP53HPGDLMNAALDH1A1
SCHEMBL10275912 0.70 GCGR (0.36) MAPTTP53THRBHPGDALDH1A1
SCHEMBL2637798 0.69 SCN2A (0.44) MAPTMAPK14SCN2A
SCHEMBL16900276 0.68 APP (0.57) HPGDLMNAALDH1A1APPKDM4E
SCHEMBL10276482 0.67 KDM4E (0.39) MAPTTP53HPGDLMNAALDH1A1
SCHEMBL10276122 0.67 PLAT (0.40) MAPTSMN1; SMN2APPGCGRNPC1

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 MAPT 750/4885TP53 2161/4885THRB 1178/4885

“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.