SCHEMBL1011264

SCHEMBL1011264

CCOC(=O)c1cnc(NC2C3CN(S(=O)(=O)c4cccc5ccccc45)CC32)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.46
CNR1 P21554 5/20 0.43
P2RY12 Q9H244 3/20 0.42
TGM2 P21980 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
CASP3 P42574 1/20 0.39
CNR2 P34972 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL8250705 0.84 HDAC3 (0.50) P2RY12ALDH1A1KDM4ELMNAGAA
SCHEMBL12723444 0.76 ACACB (0.40) P2RY12ALDH1A1GAA
SCHEMBL8243063 0.74 P2RY12 (0.45) NR1D1P2RY12PKMCNR2HDAC3
SCHEMBL1012011 0.74 P2RY12 (0.42) P2RY12ALDH1A1GAA
SCHEMBL8251602 0.72 P2RY12 (0.42) P2RY12ALDH1A1KDM4EGAANPSR1
SCHEMBL1012529 0.72 ATM (0.44) P2RY12TGM2ALDH1A1LMNAGAA
SCHEMBL1010754 0.70 PCSK9 (0.38) P2RY12HTTSMN1; SMN2
SCHEMBL12939752 0.69 KMT2A (0.58) P2RY12ALDH1A1KDM4ELMNAGAA
SCHEMBL1011840 0.68 HDAC3 (0.56) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL1011967 0.67 HDAC3 (0.55) ALDH1A1LMNAGAATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
EP-1881977-A1 HISTONE DEACETYLASE INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-30 EP disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 NR1D1 650/4885CNR1 4009/4885P2RY12 4870/4885

“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.