Sugi Predict

Sugi Predict / Compounds / SCHEMBL5456611

SCHEMBL5456611

SCHEMBL5456611

COC(=O)c1ccc2c(c1)c(Cc1ccc([N+](=O)[O-])cc1)cn2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ HTT P42858 1/20 0.43
▸ CPT1A P50416 2/20 0.42
▸ CPT1B Q92523 2/20 0.42
▸ PLA2G4A P47712 1/20 0.42
▸ LTB4R Q15722 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CPT2 P23786 1/20 0.41
▸ KCNJ1 P48048 1/20 0.40

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
SCHEMBL1992602 0.87 CDK2 (0.44) MEN1KMT2ACDK2CPT1ACPT1B
SCHEMBL4251752 0.85 CDK2 (0.42) POLBMEN1KMT2ACDK2CPT1A
SCHEMBL5452722 0.84 CPT1A (0.45) CPT1ACPT1BIDH1CPT2
SCHEMBL5458138 0.84 HASPIN (0.51) MEN1KMT2ACPT1ACPT1BIDH1
SCHEMBL15687602 0.84 HASPIN (0.50) CPT1ACPT1BIDH1MAPTALDH1A1
SCHEMBL3679305 0.83 PLA2G4A (0.61) CPT1ACPT1BPLA2G4ALTB4RCPT2
SCHEMBL22769013 0.81 CDK2 (0.47) POLBMEN1KMT2ACDK2CPT1A
SCHEMBL5467817 0.78 CPT1A (0.57) CDK2CPT1ACPT1BCPT2
SCHEMBL13767657 0.77 PLA2G4A (0.61) PLA2G4ALTB4RF2PLAUKLKB1
SCHEMBL23525638 0.77 CDK2 (0.53) MEN1KMT2ACDK2MAPT

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 POLB 1814/4885MEN1 3170/4885KMT2A 63/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 POLB 1814/4885MEN1 3170/4885KMT2A 63/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 POLB 1814/4885MEN1 3170/4885KMT2A 63/4885

“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.