SCHEMBL3586090

SCHEMBL3586090

NN(Cc1ccc(C(F)(F)C(F)(F)F)cc1)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
RORC P51449 1/20 0.42
NR1H3 Q13133 4/20 0.42
NR1H2 P55055 2/20 0.42
MDM2 Q00987 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HSD11B1 P28845 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 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
SCHEMBL3571440 0.89 MLYCD (0.48) MLYCDMEN1KMT2AHDAC1HDAC6
SCHEMBL3577181 0.88 MEN1 (0.55) MLYCDMEN1KMT2AHDAC1HDAC6
SCHEMBL28152910 0.81 HSD11B1 (0.53) MEN1KMT2AHDAC1HDAC6HDAC3
SCHEMBL3576443 0.80 MLYCD (0.48) MLYCDMEN1KMT2AHDAC1HDAC6
SCHEMBL3572818 0.76 MEN1 (0.44) MEN1KMT2ATRPM8
SCHEMBL3583115 0.75 MLYCD (0.44) MLYCDMEN1KMT2ARORCNR1H3
SCHEMBL3579626 0.75 MEN1 (0.53) MEN1KMT2APTGES
SCHEMBL29190281 0.74 HDAC1 (0.60) MLYCDMEN1KMT2AHDAC1HDAC6
SCHEMBL3582622 0.74 MLYCD (0.48) MLYCDHDAC1HDAC6HDAC3HDAC7
SCHEMBL3580749 0.72 HDAC6 (0.62) HDAC1HDAC6HDAC3HDAC7HDAC10

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC MLYCD 1946/4885MEN1 1293/4885KMT2A 341/4885

“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.