SCHEMBL2798818

SCHEMBL2798818

COC(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.58
MRGPRX4 Q96LA9 2/20 0.51
CFTR P13569 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TMPRSS4 Q9NRS4 2/20 0.48
NR4A2 P43354 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NOTUM Q6P988 1/20 0.46
GRIK1 P39086 1/20 0.45
LMNA P02545 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
FLT1 P17948 1/20 0.44

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
SCHEMBL4365379 0.87 ABL1 (0.54) ABL1MRGPRX4CFTRHTTTMPRSS4
SCHEMBL28665319 0.85 AR (0.51) ABL1CFTRRAB9AMAPTHTT
SCHEMBL14995733 0.85 ABL1 (0.60) ABL1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL1940800 0.81 CA12 (0.61) CFTRMAPTSMN1; SMN2KDM4ENOTUM
SCHEMBL2002005 0.81 CFTR (0.69) MRGPRX4CFTRMAPTCYP2C19KDM4E
SCHEMBL695717 0.81 CFTR (0.51) CFTRRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL13948877 0.81 CFTR (0.51) ABL1CFTRRAB9AMAPTTP53
SCHEMBL10861732 0.81 NOTUM (0.64) CFTRMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7779187 0.81 RAB9A (0.50) RAB9AMAPTHTTTP53SMN1; SMN2
SCHEMBL31591114 0.81 RAB9A (0.50) RAB9AMAPTHTTTP53SMN1; SMN2

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-20100168079-A1 Biaryl Benzylamine Derivatives ANGST DANIELA 2010-07-01 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-20100168079-A1 Biaryl Benzylamine Derivatives BRD3, BRD2, BBOX1 ABL1 109/4885MRGPRX4 1996/4885CFTR 799/4885

“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.