SCHEMBL2736778

SCHEMBL2736778

CCc1cc2ccccc2n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.61
BRPF1 P55201 2/20 0.48
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
CA9 Q16790 1/20 0.48
KAT2B Q92831 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
MCL1 Q07820 1/20 0.47
KMT2A Q03164 2/20 0.46
AHR P35869 3/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPEPPS P55786 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CASP1 P29466 1/20 0.42
GALK1 P51570 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
SCHEMBL30162776 0.86 DAO (0.57) DAOBRPF1CA12BRD4CA9
SCHEMBL2113080 0.86 DAO (0.57) DAOBRPF1CA12BRD4CA9
SCHEMBL24852495 0.86 DAO (0.62) DAOBRPF1CA12BRD4CA9
SCHEMBL9209958 0.86 DAO (0.57) DAOBRPF1CA12BRD4CA9
SCHEMBL12933271 0.83 DAO (0.54) DAOBRPF1CA12BRD4CA9
Hydrochloric Acid SCHEMBL4552524 0.79 DAO (0.41) DAOBRPF1CA12BRD4CA9
SCHEMBL5141455 0.77 DAO (0.40) DAOKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL24852023 0.77 DAO (0.48) DAOMCL1AHRDDB1CRBN
SCHEMBL715895 0.77 DAO (0.65) DAOBRPF1CA12BRD4CA9
SCHEMBL31426215 0.77 DAO (0.65) DAOBRPF1CA12BRD4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R DAO 2351/4885BRPF1 1023/4885CA12 4521/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B DAO 4523/4885BRPF1 2879/4885CA12 3790/4885

“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.