SCHEMBL2438255

SCHEMBL2438255

O=C(O)c1ccc(Cc2nnc(Cc3ccccc3)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.72
TTR P02766 1/20 0.72
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HDAC6 Q9UBN7 2/20 0.56
TSHR P16473 4/20 0.53
NPC1 O15118 2/20 0.53
GPR55 Q9Y2T6 1/20 0.53
SRD5A2 P31213 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLA2G10 O15496 1/20 0.49
PLA2G2A P14555 1/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL2436535 0.86 HDAC6 (0.76) HPGDTTRRAB9ASMN1; SMN2HDAC6
SCHEMBL5640575 0.86 RAB9A (0.71) HPGDTTRRAB9ASMN1; SMN2RXFP1
SCHEMBL2436237 0.83 HPGD (0.57) HPGDTTRRAB9ASMN1; SMN2RXFP1
SCHEMBL27998064 0.83 RAB9A (0.70) HPGDTTRRAB9ASMN1; SMN2RXFP1
SCHEMBL502598 0.81 SRD5A2 (0.71) TSHRSRD5A2ALDH1A1LMNAPLA2G10
SCHEMBL5482345 0.81 SRD5A2 (0.71) TSHRSRD5A2ALDH1A1LMNAPLA2G10
SCHEMBL553755 0.81 RAB9A (0.54) HPGDTTRRAB9ASMN1; SMN2RXFP1
SCHEMBL29012435 0.79 RAB9A (0.53) HPGDTTRRAB9ASMN1; SMN2RXFP1
Lithium SCHEMBL30440723 0.79 RAB9A (0.53) HPGDTTRRAB9ASMN1; SMN2RXFP1
Ammonia Solution, Strong SCHEMBL28313730 0.79 SRD5A2 (0.69) TSHRSRD5A2ALDH1A1LMNAPLA2G10

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 4846/4885RAB9A 3762/4885

“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.