SCHEMBL24550780

SCHEMBL24550780

CCOC(=O)c1cc(C(F)(F)F)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MAPT P10636 2/20 0.42
FOS P01100 2/20 0.41
JUN P05412 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 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
SCHEMBL30536957 1.00 KDM4E (0.49) KDM4EMAPTFOSJUNNFKB1
SCHEMBL24549949 0.89 KDM4E (0.52) KDM4EMAPTFOSJUNNFKB1
SCHEMBL24391491 0.85 KDM4E (0.51) KDM4EMAPTFOSJUNNFKB1
SCHEMBL29937712 0.85 KDM4E (0.51) KDM4EMAPTFOSJUNNFKB1
SCHEMBL17293016 0.84 SOS1 (0.47) KDM4EMAPTTSHRALDH1A1GAA
SCHEMBL30824163 0.84 SOS1 (0.47) KDM4EMAPTTSHRALDH1A1GAA
SCHEMBL24391433 0.83 KDM4E (0.47) KDM4EMAPTFOSJUNNFKB1
SCHEMBL31561419 0.83 KDM4E (0.47) KDM4EMAPTFOSJUNNFKB1
SCHEMBL24391475 0.83 KDM4E (0.49) KDM4EMAPTFOSJUNNFKB1
SCHEMBL29937689 0.83 KDM4E (0.49) KDM4EMAPTFOSJUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-03-14 US disclosed
CN-116601153-A Nitrogen-containing 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2023-08-15 CN disclosed
WO-2022129281-A1 NITROGEN CONTAINING 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-23 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-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors SCN8A, SCN1A, SCN2A KDM4E 2568/4885MAPT 2794/4885FOS 1912/4885

“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.