Sugi Predict

Sugi Predict / Compounds / SCHEMBL496513

SCHEMBL496513

SCHEMBL496513

O=C1Cc2c(cc(N3C(=O)c4ccccc4C3=O)cc2C(F)(F)F)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 11/20 0.42
▸ CDK1 P06493 11/20 0.42
▸ CCNB1 P14635 11/20 0.42
▸ GSK3B P49841 11/20 0.42
▸ CCNB3 Q8WWL7 11/20 0.42
▸ CDK5 Q00535 8/20 0.42
▸ CDK5R1 Q15078 8/20 0.42
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CCNT1 O60563 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ CHEK1 O14757 1/20 0.34

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
SCHEMBL495882 0.73 PGR (0.38) MEN1KMT2APDK2AR
SCHEMBL15827528 0.72 AHR (0.50) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL24425914 0.71 MEN1 (0.53) MEN1KMT2ARAB9A
SCHEMBL29906067 0.71 MEN1 (0.53) MEN1KMT2ARAB9A
SCHEMBL10129810 0.70 POLB (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL496908 0.70 CA9 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL31698083 0.70 CMA1 (0.45) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL6179151 0.70 GSK3B (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL17974653 0.70 AHR (0.44) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL12342262 0.69 MEN1 (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 — — EP disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 — — EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 — — US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 — — US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 — — US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 — — US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 — — US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 — — US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 — — EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CCNB2 894/4885CDK1 1444/4885CCNB1 694/4885

“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.