Sugi Predict

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SCHEMBL3383328

SCHEMBL3383328

Nc1ccccc1N1C(=O)CCCC(Cl)C(Cl)C(=O)c2ccccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SCN2A Q99250 1/20 0.34
▸ CASP6 P55212 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ SENP8 Q96LD8 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ SENP6 Q9GZR1 2/20 0.33
▸ HSPA1A P0DMV8 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ IL1B P01584 1/20 0.32
▸ TBXA2R P21731 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
SCHEMBL3382926 0.77 KMT2A (0.56) CYP3A4NFKB1PMP22KMT2AMEN1
SCHEMBL3380658 0.77 KMT2A (0.56) CYP3A4NFKB1PMP22KMT2AMEN1
SCHEMBL3381865 0.77 KMT2A (0.56) CYP3A4NFKB1PMP22KMT2AMEN1
SCHEMBL3381978 0.76 KMT2A (0.42) CYP3A4NFKB1PMP22KMT2AMEN1
SCHEMBL3379556 0.76 KMT2A (0.39) CYP3A4NFKB1PMP22KMT2AMEN1
SCHEMBL3381330 0.73 NPSR1 (0.35) KMT2AMEN1SCN2ANPSR1GPR55
SCHEMBL3383759 0.73 CASP6 (0.39) CYP3A4NFKB1PMP22KMT2AMEN1
SCHEMBL7172557 0.72 ALDH1A1 (0.35) KMT2AMEN1SCN2ANPSR1GPR55
SCHEMBL23043603 0.71 POLB (0.53) KMT2AMEN1CASP6TDP1POLB
SCHEMBL29978713 0.71 POLB (0.53) KMT2AMEN1CASP6TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 — — EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 — — US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 — — US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 — — EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 — — EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 — — US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 — — WO 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 (2 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 S100A4 4771/4885CYP3A4 4739/4885NFKB1 1195/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 S100A4 4771/4885CYP3A4 4739/4885NFKB1 1195/4885

“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.