SCHEMBL10160565

SCHEMBL10160565

C[C@](/C(N)=N/O)(c1ccc(Br)cc1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
POLB P06746 2/20 0.35
NOS1 P29475 2/20 0.34
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
PLAU P00749 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL10161869 1.00 CYP19A1 (0.39) CYP19A1POLBNOS1SLC22A2SLC22A1
SCHEMBL10160609 1.00 CYP19A1 (0.39) CYP19A1POLBNOS1SLC22A2SLC22A1
SCHEMBL15167104 1.00 CYP19A1 (0.39) CYP19A1POLBNOS1SLC22A2SLC22A1
SCHEMBL15167451 1.00 CYP19A1 (0.39) CYP19A1POLBNOS1SLC22A2SLC22A1
SCHEMBL15143170 0.80 CYP19A1 (0.41) CYP19A1POLBKMT2AALDH1A1HSD11B1
SCHEMBL15143172 0.80 CYP19A1 (0.41) CYP19A1POLBNOS1KMT2AALDH1A1
SCHEMBL15183282 0.80 CYP19A1 (0.41) CYP19A1POLBNOS1KMT2AALDH1A1
SCHEMBL12019813 0.76 ALOX5AP (0.43)
SCHEMBL10161777 0.76 ALOX5AP (0.43)
SCHEMBL10150621 0.75 ADRA2A (0.36) CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2812300-B1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
EP-2812300-B1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
EP-2809321-B1 PHENYL-C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION FOR USE IN COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-11-09 EP disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
EP-2606045-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
US-9029592-B2 Process for preparing carboxamidine compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-9029592-B2 Process for preparing carboxamidine compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-9029592-B2 Process for preparing carboxamidine compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
EP-2812300-A1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2014-12-17 EP disclosed
US-20130211130-A1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
US-20130211130-A1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
WO-2013119751-A1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 WO disclosed
WO-2013119751-A1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 WO disclosed
US-20130211130-A1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
WO-2013113799-A1 PHENYL -C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
WO-2012024150-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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 (3 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-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 CYP19A1 940/4885POLB 3015/4885NOS1 437/4885
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S CYP19A1 707/4885POLB 3451/4885NOS1 484/4885
US-20130211130-A1 PROCESS FOR PREPARING CARBOXAMIDINE COMPOUNDS CYP3A4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1 CYP19A1 500/4885POLB 1390/4885NOS1 1363/4885

“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.