SCHEMBL2958720

SCHEMBL2958720

O=C1CC(c2cc(F)cc(F)c2F)CN1CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
QPCT Q16769 1/20 0.34
DPP4 P27487 3/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2951186 0.81 DPP4 (0.43) ALDH1A1SMN1; SMN2DPP4
SCHEMBL16432172 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL2945967 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL2948618 0.79 HPGD (0.42) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL2948183 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL28288944 0.78 BRD4 (0.49) HCAR2RIPK1QPCT
SCHEMBL21527909 0.77 HCAR2 (0.44) HCAR2RIPK1ALDH1A1QPCTDPP4
SCHEMBL19995539 0.77 HCAR2 (0.44) HCAR2RIPK1ALDH1A1QPCTDPP4
SCHEMBL29868488 0.76 CYP19A1 (0.36) HCAR2DPP4
SCHEMBL28803819 0.76 HCAR2 (0.33) HCAR2RIPK1QPCTDPP4HPGD

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 HCAR2 2925/4885RIPK1 2117/4885ALDH1A1 896/4885
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 HCAR2 2925/4885RIPK1 2117/4885ALDH1A1 896/4885

“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.