Sugi Predict

Sugi Predict / Compounds / SCHEMBL5458573

SCHEMBL5458573

SCHEMBL5458573

Cn1cc(Cc2ccc(NC(=O)c3ccccc3)cc2)c2cc(C(=O)O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 8/20 0.60
▸ CPT1A P50416 4/20 0.59
▸ CPT1B Q92523 4/20 0.59
▸ CPT2 P23786 3/20 0.59
▸ PDPK1 O15530 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ ERBB2 P04626 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ MET P08581 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ KIT P10721 1/20 0.54
▸ FGFR1 P11362 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ PDGFRA P16234 1/20 0.54
▸ FLT1 P17948 1/20 0.54
▸ CSNK2A2 P19784 1/20 0.54
▸ FGFR2 P21802 1/20 0.54
▸ FGFR4 P22455 1/20 0.54

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
SCHEMBL1994556 0.92 HASPIN (0.61) HASPINCPT1ACPT1BCPT2PDPK1
SCHEMBL5467817 0.91 CPT1A (0.57) HASPINCPT1ACPT1BCPT2PDPK1
SCHEMBL4254269 0.90 HASPIN (0.56) HASPINCPT1ACPT1BCPT2PDPK1
SCHEMBL22768845 0.77 GPR84 (0.61) HDAC1HDAC6PTPN5
SCHEMBL15687602 0.77 HASPIN (0.50) HASPINCPT1ACPT1BCPT2PDGFRB
SCHEMBL913166 0.76 SLC22A12 (0.49) HDAC1HDAC6
SCHEMBL29202686 0.75 CPT2 (0.47) HASPINCPT1ACPT1BCPT2
SCHEMBL1993367 0.73 HASPIN (0.47) HASPINCPT1ACPT1BCPT2HDAC3
SCHEMBL1992307 0.73 HASPIN (0.56) HASPINCPT1ACPT1BPDPK1CHEK2
SCHEMBL26581286 0.73 HASPIN (0.55) HASPINCPT1ACPT1BCPT2CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 — — US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 — — US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 — — US disclosed
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2013-06-20 — — US disclosed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 — — US disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 — — 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 (3 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HASPIN 403/4885CPT1A 314/4885CPT1B 1322/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HASPIN 403/4885CPT1A 314/4885CPT1B 1322/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HASPIN 403/4885CPT1A 314/4885CPT1B 1322/4885

“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.