SCHEMBL5230422

SCHEMBL5230422

Brc1cccc(N2CC3OC3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 2/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
NPC1 O15118 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM1A O60341 2/20 0.34
HSD11B1 P28845 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL14321602 0.82 HSD17B10 (0.60) HSD17B10ALOX5MGLLMEN1KMT2A
SCHEMBL14322175 0.82 ATM (0.42) HSD17B10ALOX5MGLLMEN1KMT2A
SCHEMBL14321601 0.82 HSD17B10 (0.60) HSD17B10ALOX5MGLLMEN1KMT2A
SCHEMBL2378804 0.79 ALOX5 (0.43) HSD17B10ALOX5MGLLMEN1KMT2A
SCHEMBL21683097 0.79 ALOX5 (0.43) HSD17B10ALOX5MGLLMEN1KMT2A
SCHEMBL19464246 0.79 ALOX5 (0.43) HSD17B10ALOX5MGLLMEN1KMT2A
SCHEMBL25965933 0.79 ALOX5 (0.40) HSD17B10ALOX5MGLLMEN1KMT2A
SCHEMBL31127631 0.76 CHRNB4 (0.45) ALOX5MGLLMEN1KMT2A
SCHEMBL6620339 0.76 BPTF (0.52) HSD17B10MGLLMEN1KMT2AL3MBTL1
SCHEMBL21715299 0.75 ALOX5 (0.40) HSD17B10ALOX5MGLLMEN1KMT2A

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
EP-1375496-B1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT EISAI R&D MAN CO LTD (JP) 2007-07-04 EP disclosed
US-7112593-B2 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI CO., LTD. (JP) 2006-09-26 US disclosed
US-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375496-A1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2004-01-02 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 (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-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient COASY, HCCS, SQLE HSD17B10 16/4885ALOX5 583/4885MGLL 1003/4885

“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.