SCHEMBL3205024

SCHEMBL3205024

CCOC(=O)c1nc(Br)[nH]c1C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.42
TARBP2 Q15633 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL5727096 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL3373723 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL22263358 0.84 KDM4E (0.42) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL16101517 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL16268429 0.84 LMNA (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7885220 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL27094259 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL7885491 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL7309272 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL21880014 0.79 KDM4E (0.40) ALDH1A1KDM4EHPGDHTTRECQL

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 11 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-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-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-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
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 (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 ALDH1A1 1775/4885KDM4E 2469/4885HPGD 1542/4885
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES CHRM1, CHRM2, CYP3A43 ALDH1A1 1775/4885KDM4E 2469/4885HPGD 1542/4885

“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.