SCHEMBL2945878

SCHEMBL2945878

CCCCCCCc1nc2ccc(C)cc2n1CN1CC(CCC)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
POLB P06746 2/20 0.37
EDNRA P25101 1/20 0.36
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 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
SCHEMBL4409318 0.87 MEN1 (0.41) POLBMAPTHDAC1HDAC8LMNA
SCHEMBL2960082 0.84 P2RX3 (0.44) POLBTP53MAPTSMN1; SMN2LMNA
SCHEMBL2951145 0.83 GLA (0.48) AGTR1AGTR2TP53LMNA
SCHEMBL2337768 0.83 TLR8 (0.37) TLR8POLBTP53MAPTLMNA
SCHEMBL30361134 0.82 PPARG (0.39)
SCHEMBL661457 0.82 PPARG (0.39)
SCHEMBL662975 0.81 LMNA (0.48) AGTR1AGTR2MAPTSMN1; SMN2LMNA
SCHEMBL661098 0.77 ALDH1A1 (0.36) TLR8POLBTP53LMNATSHR
SCHEMBL663298 0.77 TLR7 (0.39) TLR8AGTR1AGTR2TLR7HDAC1
SCHEMBL30361146 0.77 ALDH1A1 (0.36) TLR8POLBTP53LMNATSHR

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-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
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-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 TLR8 2413/4885POLB 3175/4885EDNRA 3081/4885
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 TLR8 2413/4885POLB 3175/4885EDNRA 3081/4885

“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.