Sugi Predict

Sugi Predict / Compounds / SCHEMBL3832833

SCHEMBL3832833

SCHEMBL3832833

CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.46
▸ HDAC6 Q9UBN7 9/20 0.46
▸ HDAC3 O15379 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RECQL P46063 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
SCHEMBL2473249 0.88 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3832542 0.88 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2500149 0.87 EGFR (0.45) GAAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL2480501 0.86 MAPT (0.46) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2474357 0.85 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2471370 0.84 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3836183 0.84 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2477362 0.84 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2477923 0.83 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3834424 0.83 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC8

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-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 — — US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 — — US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 — — US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 — — US disclosed
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 — — 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-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE UACA, SLC14A1, ARG2 HDAC1 200/4885HDAC6 363/4885HDAC3 795/4885

“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.