SCHEMBL5863618

SCHEMBL5863618

CCOC(=O)c1cc(Br)ccc1C#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 8/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL27726722 0.83 NR4A2 (0.48) KDM4EALDH1A1HSD17B10MAPTRXFP1
SCHEMBL29746327 0.83 NR4A2 (0.48) KDM4EALDH1A1HSD17B10MAPTRXFP1
SCHEMBL1654418 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL7369021 0.81 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL234030 0.80 TSHR (0.60) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL17022287 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL288615 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL29571295 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8382781 0.78 KDM4E (0.57) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL19859167 0.78 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN PRECISION MEDICINE (FR) 2023-11-09 US disclosed
CN-115996932-A New macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2023-04-21 CN disclosed
WO-2021224320-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2021-11-11 WO disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC KDM4E 2536/4885ALDH1A1 1345/4885HSD17B10 345/4885
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, RIN1, GRK3 KDM4E 2181/4885ALDH1A1 3394/4885HSD17B10 4228/4885

“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.