SCHEMBL9507238

SCHEMBL9507238

CC(=O)c1cccc(-c2ncco2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
BRD2 P25440 1/20 0.48
CREBBP Q92793 1/20 0.48
HPGDS O60760 1/20 0.47
MAP4K4 O95819 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
KDR P35968 2/20 0.47
MAPK8 P45983 2/20 0.47
CDK8 P49336 2/20 0.47
ACVR1 Q04771 2/20 0.47
MST1R Q04912 2/20 0.47
ROCK1 Q13464 2/20 0.47
LRRK2 Q5S007 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL939928 0.86 KEAP1 (0.55) HPGDSGLRA3GLRB
SCHEMBL31558442 0.86 KEAP1 (0.55) HPGDSGLRA3GLRB
SCHEMBL6433748 0.84 HPGDS (0.47) BRD4HPGDSGLRA3GLRBJAK3
SCHEMBL6573037 0.84 PRKCI (0.50) HPGDSCDK8GSK3BGLRA3GLRB
SCHEMBL24934252 0.84 CDK8 (0.49) HPGDSMAP4K4CDK8LRRK2FGFR1
SCHEMBL6434655 0.84 GLRA3 (0.62) HPGDSCDK8ROCK1ABL1GLRA3
SCHEMBL30999881 0.81 ALDH1A1 (0.47) HPGDSGLRA3GLRBLMNAMAPK1
SCHEMBL24933996 0.81 ALDH1A1 (0.47) HPGDSGLRA3GLRBLMNAMAPK1
SCHEMBL6514687 0.80 BRD4 (0.49) BRD4HPGDSMAP4K4CLK4KDR
SCHEMBL6438972 0.80 HPGDS (0.47) HPGDSGLRA3GLRBMAPK1

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-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
EP-0297804-B1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1993-08-18 EP disclosed
US-4863846-A SULFUR KONICA CORPORATION (JP) 1989-09-05 US disclosed
EP-0297804-A2 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1989-01-04 EP 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-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 BRD4 1241/4885BRD2 1185/4885CREBBP 2063/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 BRD4 1241/4885BRD2 1185/4885CREBBP 2063/4885

“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.