SCHEMBL2951891

SCHEMBL2951891

CCCC1CC(=O)N(CNc2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.40
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.36
IDO1 P14902 1/20 0.36
CASP7 P55210 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 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
SCHEMBL6948117 0.83 NPC1 (0.43) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2951167 0.81 HTT (0.34) MAPTL3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4077151 0.68 KAT2B (0.66) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL1668217 0.68 GRM4 (0.36) ALDH1A1
SCHEMBL162875 0.68 KAT2B (0.60) KAT2BMAPTL3MBTL1MAPK1NPC1
Bromide SCHEMBL28202540 0.67 KAT2B (0.58) KAT2BMAPTL3MBTL1MAPK1NPC1
Hydrochloric Acid SCHEMBL3652036 0.67 KAT2B (0.61) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL12002358 0.66 BRD4 (0.43) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL981345 0.66 KAT2B (0.71) KAT2BMAPTL3MBTL1MAPK1NPC1
SCHEMBL977454 0.66 KAT2B (0.57) KAT2BMAPTL3MBTL1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513105-A 2007-05-24 JP claimed
EP-1706376-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2006-10-04 EP claimed
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2005-06-23 US claimed
WO-2005054188-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2005-06-16 WO claimed
US-7763644-B2 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-07-27 US disclosed
US-7763644-B2 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-07-27 US disclosed
US-7763644-B2 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-07-27 US disclosed
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. 2008-04-03 US disclosed
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. 2008-04-03 US disclosed
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. 2008-04-03 US disclosed
US-7244747-B2 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-07-17 US disclosed
US-7244747-B2 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-07-17 US disclosed
US-7244747-B2 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-07-17 US disclosed
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2005-06-23 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 (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-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 KAT2B 3654/4885MAPT 732/4885L3MBTL1 4883/4885
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 KAT2B 3654/4885MAPT 732/4885L3MBTL1 4883/4885

“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.