SCHEMBL3238166

SCHEMBL3238166

O=C(NCc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.61
LMNA P02545 3/20 0.58
RAB9A P51151 1/20 0.58
POLB P06746 2/20 0.58
TP53 P04637 1/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
MRGPRX4 Q96LA9 1/20 0.56
PLA2G1B P04054 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
MAPK14 Q16539 2/20 0.55
CCR2 P41597 1/20 0.53

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
SCHEMBL23447718 0.86 LMNA (0.74) MLYCDLMNARAB9APOLBTP53
SCHEMBL3580095 0.86 HDAC6 (0.62) LMNARAB9ATP53MAPK14HPGD
SCHEMBL23447721 0.85 MLYCD (0.77) MLYCDLMNARAB9APOLBTP53
SCHEMBL11715172 0.84 LMNA (0.71) MLYCDLMNARAB9APOLBTP53
SCHEMBL11626087 0.83 VNN1 (0.63) MLYCDLMNARAB9APOLBTP53
SCHEMBL29754347 0.82 DDR1 (0.64) LMNARAB9APOLBTP53ALDH1A1
SCHEMBL26625342 0.81 HDAC1 (0.63) MLYCDLMNARAB9AMEN1KMT2A
SCHEMBL5261051 0.81 MLYCD (0.80) MLYCDLMNARAB9ATP53MEN1
SCHEMBL3571475 0.81 BACE1 (0.60) MLYCDLMNARAB9AALDH1A1MEN1
SCHEMBL2634030 0.80 MAPK14 (0.76) LMNARAB9AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 MLYCD 1341/4885LMNA 1797/4885RAB9A 167/4885

“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.