SCHEMBL2570032

SCHEMBL2570032

CC(C)(C)c1nc(-c2ccc(CCl)cc2)cn1CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CNR2 P34972 6/20 0.38
MTOR P42345 5/20 0.35
PIK3CA P42336 2/20 0.35
GSK3A P49840 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
YTHDC1 Q96MU7 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE5A O76074 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL2572447 0.88 MTOR (0.45) RAB9ANPC1CNR2MTORPIK3CA
SCHEMBL2570511 0.85 RAB9A (0.40) RAB9ANPC1CNR2MTORPIK3CA
SCHEMBL2573545 0.84 NPC1 (0.42) RAB9ANPC1CNR2MTORPIK3CA
SCHEMBL2572728 0.83 NPC1 (0.58) RAB9ANPC1CNR2MEN1KMT2A
SCHEMBL2566387 0.81 MTOR (0.48) RAB9ANPC1CNR2MTORPIK3CA
SCHEMBL2573388 0.79 BRD4 (0.42) CNR2MTORPIK3CAGSK3APDE5A
SCHEMBL2573456 0.78 ALDH1A1 (0.45) RAB9ANPC1MEN1KMT2A
SCHEMBL2564085 0.78 TLR8 (0.42) RAB9ANPC1CNR2
SCHEMBL2568565 0.78 TLR8 (0.42) RAB9ANPC1CNR2PDE4APDE4B
SCHEMBL2574758 0.77 CNR2 (0.40) RAB9ANPC1CNR2MTORPIK3CA

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 RAB9A 1616/4885NPC1 543/4885CNR2 2/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 RAB9A 1616/4885NPC1 543/4885CNR2 2/4885

“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.