SCHEMBL22065262

SCHEMBL22065262

CCC(=O)c1ccc(OC)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
P4HTM Q9NXG6 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL21484711 0.84 GSK3B (0.56) DRD3HDAC3HDAC4HDAC1HDAC7
SCHEMBL29601112 0.84 GSK3B (0.56) DRD3HDAC3HDAC4HDAC1HDAC7
SCHEMBL27039929 0.84 DRD3 (0.46) DRD3HDAC3HDAC4HDAC1HDAC7
SCHEMBL31680822 0.83 P4HTM (0.41) DRD3P4HTMMAPTKDM4ETDP1
Bromide SCHEMBL27039939 0.83 GSK3B (0.54) DRD3HDAC3HDAC4HDAC1HDAC7
SCHEMBL27812383 0.83 L3MBTL1 (0.49) P4HTMMAPTKDM4ETDP1KMT2A
SCHEMBL31312950 0.83 DRD3 (0.45) DRD3HDAC3HDAC4HDAC1HDAC7
SCHEMBL26480953 0.83 MAPT (0.48) MAPTKDM4ETDP1KMT2AALDH1A1
SCHEMBL27812384 0.81 ACACB (0.44) P4HTMMAPTKDM4ETDP1KMT2A
SCHEMBL2187078 0.79 DRD3 (0.47) DRD3P4HTMMAPTKDM4EALDH1A1

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-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 US disclosed
CN-101084224-B Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC 2013-12-04 CN disclosed
CN-101084224-A Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2007-12-05 CN disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN 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 (2 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 DRD3 4596/4885HDAC3 894/4885HDAC4 891/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 DRD3 1356/4885HDAC3 2435/4885HDAC4 2658/4885

“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.