SCHEMBL8278554

SCHEMBL8278554

CCOC(=O)c1nc(Br)n(CC)c1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
TARBP2 Q15633 1/20 0.40
MAPK1 P28482 3/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3198143 0.82 KDM4E (0.36) ALDH1A1CYP1A2TARBP2MAPK1HPGD
SCHEMBL8277834 0.81 RAB9A (0.38) ALDH1A1CYP1A2MAPK1HPGDKDM4E
SCHEMBL8352410 0.81 NPSR1 (0.45) ALDH1A1KDM4EHSD17B10KMT2ASMN1; SMN2
SCHEMBL13217488 0.80 KDM4E (0.43) ALDH1A1CYP1A2TARBP2MAPK1HPGD
SCHEMBL13217093 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2MAPK1HPGDKDM4E
SCHEMBL16268486 0.77 GRK6 (0.42) ALDH1A1CYP1A2TARBP2MAPK1HPGD
SCHEMBL3369577 0.75 KMT2A (0.44) ALDH1A1CYP1A2TARBP2KDM4EKMT2A
SCHEMBL16268846 0.74 ESR1 (0.44) ALDH1A1CYP1A2MAPK1HPGDKMT2A
SCHEMBL5727018 0.74 GAA (0.43) ALDH1A1CYP1A2TARBP2MAPK1HPGD
SCHEMBL5727260 0.74 KDM4E (0.39) ALDH1A1CYP1A2TARBP2MAPK1KDM4E

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 ALDH1A1 1775/4885CYP1A2 13/4885TARBP2 1761/4885

“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.