SCHEMBL1968044

SCHEMBL1968044

COC(=O)C(CCCCl)c1ccc(C=CC(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
MMP1 P03956 8/20 0.41
MMP2 P08253 8/20 0.41
MMP9 P14780 8/20 0.41
EGFR P00533 4/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TRPA1 O75762 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TNIK Q9UKE5 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 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
SCHEMBL1968041 1.00 TRPV1 (0.43) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL9976632 0.92 EGFR (0.43) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL9976633 0.88 TRPV1 (0.43) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL3226203 0.85 TRPA1 (0.41) TRPV1MMP2EGFRHDAC1HDAC3
SCHEMBL3226190 0.85 TRPA1 (0.41) TRPV1MMP2EGFRHDAC1HDAC3
SCHEMBL13458152 0.85 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1119875 0.82 TRPV1 (0.49) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL1119870 0.82 TRPV1 (0.49) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL1966327 0.81 CHRM3 (0.44)
SCHEMBL3230462 0.81 CHRM3 (0.44)

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 4 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
EP-2334658-A2 ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO 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 3461/4885MMP1 2517/4885MMP2 1105/4885

“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.