SCHEMBL6745979

SCHEMBL6745979

c1ccc2c(C3CCOCC3)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
PDPK1 O15530 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK10 P53779 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALPL P05186 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
TTK P33981 1/20 0.41
LRRK2 Q5S007 4/20 0.40
ULK1 O75385 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FGFR1 P11362 2/20 0.38
ITK Q08881 1/20 0.38
CYP1A2 P05177 1/20 0.38
PDE10A Q9Y233 1/20 0.38
FLT1 P17948 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL30619334 1.00 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL5562284 0.90 KDM4E (0.41) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL3057752 0.88 KDM4E (0.50) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL15485748 0.84 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL4004747 0.84 RAB9A (0.48) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL30611180 0.83 LRRK2 (0.53) KDM4EALDH1A1HPGDLRRK2FGFR1
SCHEMBL25270970 0.83 KDM4E (0.46) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL29869220 0.81 HTR2C (0.50) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL1545976 0.81 HTR2C (0.50) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL6635919 0.80 KDM4E (0.38) KDM4EGAAPDPK1CYP3A4MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 EP disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 WO disclosed
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 KDM4E 2619/4885GAA 4547/4885PDPK1 4390/4885

“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.