SCHEMBL2472679

SCHEMBL2472679

CC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(Br)cc4)noc3C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MAP4K4 O95819 1/20 0.40
MAPK14 Q16539 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 2/20 0.38
BRD2 P25440 2/20 0.37
CREBBP Q92793 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2470837 0.90 BRD4 (0.45) BRD4MAP4K4MAPK14RXFP1MEN1
SCHEMBL2471395 0.89 MAPK14 (0.48) BRD4RAB9ANPC1NLRP3MAPK14
SCHEMBL2475081 0.89 BRD4 (0.42) BRD4RAB9ANPC1NLRP3MAP4K4
SCHEMBL2470875 0.88 BRD4 (0.44) BRD4NPC1MAP4K4MAPK14BRD2
SCHEMBL2473617 0.85 NPC1 (0.46) RAB9ANPC1NLRP3MAPK14HTT
SCHEMBL2471844 0.85 NPC1 (0.61) BRD4RAB9ANPC1NLRP3MAPK14
SCHEMBL2470769 0.83 GABRA5 (0.43) BRD4MAPK14BRD2CREBBPPTGS1
SCHEMBL2470866 0.82 RAB9A (0.42) RAB9ANPC1NLRP3MAPTMEN1
SCHEMBL2471573 0.82 PTGS2 (0.47) RAB9ANPC1NLRP3MAPK14MAPT
SCHEMBL2469015 0.81 GABRA5 (0.47) MAP4K4MAPK14MEN1KMT2AKDM4E

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-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 BRD4 677/4885RAB9A 880/4885NPC1 1036/4885

“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.