SCHEMBL3198143

SCHEMBL3198143

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
TARBP2 Q15633 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
DPP4 P27487 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 2/20 0.34
PDE4A P27815 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 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
SCHEMBL3196117 0.84 KDM4E (0.34) KDM4EALDH1A1CYP1A2MAPK1HPGD
SCHEMBL2956803 0.84 ALDH1A1 (0.37) KDM4EALDH1A1CYP1A2MAPK1HPGD
SCHEMBL2964453 0.84 KDM4E (0.40) KDM4ETARBP2ALDH1A1CYP1A2MAPK1
SCHEMBL4245735 0.83 NPSR1 (0.39) DPP4SMN1; SMN2NPSR1
SCHEMBL8278554 0.82 ALDH1A1 (0.41) KDM4ETARBP2ALDH1A1CYP1A2MAPK1
SCHEMBL4813254 0.80 NPSR1 (0.36) DPP4SMN1; SMN2NPSR1
SCHEMBL8277780 0.72 MAPT (0.36) KDM4EALDH1A1CYP1A2MAPK1HPGD
SCHEMBL8277751 0.72 MEN1 (0.33) ALDH1A1HSD17B10KMT2AELANE
SCHEMBL21889762 0.71 CA12 (0.39) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL8277758 0.71 LMNA (0.34) KDM4EALDH1A1CYP1A2MAPK1HPGD

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 7 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-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-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
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
US-20050261352-A1 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261352-A1 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides CHRM1, CHRM2, CYP3A43 KDM4E 2469/4885TARBP2 1761/4885ALDH1A1 1775/4885
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES CHRM1, CHRM2, CYP3A43 KDM4E 2469/4885TARBP2 1761/4885ALDH1A1 1775/4885

“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.