SCHEMBL9976633

SCHEMBL9976633

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)/C=C/c1ccc(C(CCCCl)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EGFR P00533 7/20 0.41
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
MMP1 P03956 5/20 0.39
MMP2 P08253 5/20 0.39
MMP9 P14780 5/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3226190 0.93 TRPA1 (0.41) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL3226203 0.93 TRPA1 (0.41) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL9976632 0.91 EGFR (0.43) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL9976634 0.90 TRPV1 (0.45) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL1968044 0.88 TRPV1 (0.43) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL1968041 0.88 TRPV1 (0.43) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL10068875 0.85 TRPA1 (0.42) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL9976631 0.85 TRPV1 (0.41) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL9976636 0.85 TRPV1 (0.40) TRPV1HDAC1HDAC3HDAC8HDAC2
SCHEMBL1972856 0.83 TRPA1 (0.43) TRPV1HDAC1HDAC3HDAC8HDAC2

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-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 TRPV1 3461/4885HDAC1 730/4885HDAC3 1722/4885

“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.