SCHEMBL10039320

SCHEMBL10039320

O=C(Nc1ccc(Br)cc1)C(CCCN1C[C@@H]2C[C@H]1CO2)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 6/20 0.37
▸ CCNC P24863 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ WNT1 P04628 4/20 0.36
▸ GSK3B P49841 4/20 0.36
▸ DYRK1A Q13627 4/20 0.36
▸ FLT3 P36888 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL10039321 0.83 HDAC1 (0.41) CCNCCDK8CYP2C9
SCHEMBL3234967 0.80 CCNC (0.37) WNT3ACCNCCDK8FLT3
SCHEMBL1966580 0.76 RAB9A (0.41) —
SCHEMBL13458174 0.75 HDAC1 (0.42) CCNCCDK8CYP2C9NAMPT
SCHEMBL10069093 0.72 HDAC1 (0.44) CYP2C9
SCHEMBL13458535 0.72 CCNC (0.37) WNT3ACCNCCDK8WNT1GSK3B
SCHEMBL9976635 0.69 ALDH1A1 (0.41) —
SCHEMBL3226196 0.68 HDAC1 (0.44) —
SCHEMBL3226156 0.68 HDAC1 (0.44) —
SCHEMBL3226812 0.67 HDAC1 (0.45) CYP2C9

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 5 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-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US 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
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 WNT3A 3482/4885CCNC 92/4885CDK8 905/4885

“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.

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