Sugi Predict

Sugi Predict / Compounds / SCHEMBL2436237

SCHEMBL2436237

SCHEMBL2436237

Cc1nnc(Cc2ccc(C(=O)O)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.57
▸ TTR P02766 1/20 0.57
▸ SRD5A2 P31213 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NR4A1 P22736 1/20 0.42

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
SCHEMBL2438255 0.83 HPGD (0.72) HPGDTTRSRD5A2HDAC6LMNA
SCHEMBL12597232 0.79 RAB9A (0.60) HPGDTTRMEN1KMT2AALDH1A1
SCHEMBL2436535 0.77 HDAC6 (0.76) HPGDTTRHDAC6LMNAKMT2A
SCHEMBL31043960 0.76 RAB9A (0.49) HPGDKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL13237374 0.76 NPC1 (0.54) HPGDKMT2ASMN1; SMN2RAB9ATSHR
SCHEMBL12877033 0.76 SMN1; SMN2 (0.61) HPGDTTRHDAC6LMNAMEN1
SCHEMBL5640575 0.74 RAB9A (0.71) HPGDTTRHDAC6KMT2AALDH1A1
SCHEMBL11194988 0.74 HSD17B10 (0.74) HPGDTTRLMNAMEN1KMT2A
SCHEMBL12171418 0.74 HDAC6 (0.56) HPGDTTRHDAC6LMNAKMT2A
SCHEMBL4191953 0.72 KMT2A (0.40) HPGDHDAC6MEN1KMT2AALDH1A1

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-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 — — EP disclosed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 — — EP disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 — — US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 — — US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 — — US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 — — US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 — — US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 — — US disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 — — 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 (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-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 HPGD 769/4885TTR 4846/4885SRD5A2 3056/4885

“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.