SCHEMBL2574758

SCHEMBL2574758

CC(C)(C)c1nc(-c2cccc(CO)c2)cn1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
HDAC6 Q9UBN7 1/20 0.37
GRM2 Q14416 1/20 0.37
WDR5 P61964 1/20 0.37
CYP2C9 P11712 1/20 0.36
NR4A2 P43354 1/20 0.36
KCNH2 Q12809 1/20 0.36
S1PR1 P21453 1/20 0.36
MTOR P42345 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MERTK Q12866 1/20 0.36
BRD4 O60885 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL2570586 0.87 CNR2 (0.39) CNR2HDAC6NPC1RAB9ABRD4
SCHEMBL2572447 0.86 MTOR (0.45) CNR2HDAC6GRM2MTORNPC1
SCHEMBL2568565 0.85 TLR8 (0.42) CNR2GRM2NPC1RAB9ABRD4
SCHEMBL2574935 0.84 CNR2 (0.39) CNR2GRM2NPC1RAB9ABRD4
SCHEMBL2572325 0.84 KDM4C (0.47) CNR2BRD4
SCHEMBL2572164 0.83 ADORA2A (0.47) WDR5CYP2C9NPC1RAB9A
SCHEMBL2570763 0.82 CNR2 (0.43) CNR2GRM2
SCHEMBL2571643 0.80 KEAP1 (0.48) CNR2NPC1RAB9A
SCHEMBL2570136 0.80 BRD4 (0.45) CNR2WDR5MTORBRD4
SCHEMBL2572531 0.80 BMP1 (0.46) BRD4PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885HDAC6 798/4885GRM2 319/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885HDAC6 798/4885GRM2 319/4885

“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.