SCHEMBL2948183

SCHEMBL2948183

O=C1CC(c2ccc(F)c(F)c2F)CN1CO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.34
PLA2G7 Q13093 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CALCRL Q16602 1/20 0.33
HTT P42858 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL13909017 0.81 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2HPGDTSHRPLA2G7
SCHEMBL2951186 0.79 DPP4 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL2958720 0.78 HCAR2 (0.39) ALDH1A1SMN1; SMN2HPGDTSHRHTT
SCHEMBL2945938 0.77 TSHR (0.42) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL660060 0.76 CYP19A1 (0.42)
SCHEMBL29868595 0.76 CYP19A1 (0.42)
SCHEMBL2945967 0.76 TSHR (0.41) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL16432172 0.76 TSHR (0.41) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL5149265 0.75 HPGD (0.34) HPGDTSHRTP53PLA2G7PDE10A
SCHEMBL12471409 0.75 ALOX15 (0.37) ALDH1A1HPGDTSHRGRM5

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 12 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
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
EP-1706376-B1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2009-03-04 EP 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
EP-1706376-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2006-10-04 EP disclosed
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2005-06-23 US disclosed
WO-2005054188-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2005-06-16 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 (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 ALDH1A1 896/4885SMN1; SMN2 4558/4885HPGD 79/4885
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 ALDH1A1 896/4885SMN1; SMN2 4558/4885HPGD 79/4885

“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.