SCHEMBL8277758

SCHEMBL8277758

CC#CCn1c(Cl)nc(C=O)c1C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 3/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HCRTR1 O43613 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 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
SCHEMBL3196117 0.85 KDM4E (0.34) LMNAMAPTHTTMAPK1DPP4
SCHEMBL8277746 0.83 JMJD6 (0.34) DPP4GAATP53
SCHEMBL8276516 0.83 HSP90B1 (0.31)
SCHEMBL8276521 0.81 DPP4 (0.34) DPP4
SCHEMBL8276525 0.80 DPP4 (0.32) DPP4
SCHEMBL8277752 0.79 DPP4 (0.35) MAPTHTTDPP4ALDH1A1
SCHEMBL6383608 0.79 P2RY12 (0.33) LMNAMAPTHTTPOLBMAPK1
SCHEMBL2954841 0.75 KCNH2 (0.40) LMNAMAPTNPSR1POLBALDH1A1
SCHEMBL8276520 0.74
SCHEMBL8277751 0.73 MEN1 (0.33) HTTALDH1A1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667035-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-23 US disclosed
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
US-7439370-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
WO-2005110999-A1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS INTERMEDIATE PRODUCTS FOR PRODUCING MEDICAMENTS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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 (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-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES CHRM1, CHRM2, CYP3A43 LMNA 2050/4885MAPT 59/4885NPSR1 1426/4885

“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.