SCHEMBL505889

SCHEMBL505889

CNc1ccc(C(=O)N(CCC(=O)OC)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 3/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HCAR3 P49019 8/20 0.53
CDC25B P30305 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 5/20 0.51
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
VDR P11473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 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
SCHEMBL6779574 0.91 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL27890088 0.86 HCAR3 (0.54) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL15107067 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL19157146 0.83 SMN1; SMN2 (0.43) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL506325 0.83 PRKCI (0.46) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL12518161 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL6782403 0.81 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL29276648 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL18380902 0.81 SMN1; SMN2 (0.42) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL29276989 0.78 LMNA (0.48) ALDH1A1MAPK1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3195876-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-26 EP disclosed
EP-2525812-B1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
US-20150210778-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2015-07-30 US disclosed
US-20150210778-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INT (DE) 2015-07-30 US disclosed
US-9034822-B2 Methods of using antibodies during anticoagulant therapy of dabigatran and/or related compounds BOEHRINGER IGELHEIM INTERNATIONAL GMBH (DE) 2015-05-19 US disclosed
US-9034822-B2 Methods of using antibodies during anticoagulant therapy of dabigatran and/or related compounds BOEHRINGER IGELHEIM INTERNATIONAL GMBH (DE) 2015-05-19 US disclosed
US-20140377265-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-25 US disclosed
US-20140377265-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-25 US disclosed
US-8821871-B2 Anticoagulant antidotes comprising antibodies that bind dabigatran and/or related compounds and methods of use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8821871-B2 Anticoagulant antidotes comprising antibodies that bind dabigatran and/or related compounds and methods of use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20130289248-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20130289248-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-8486398-B2 Anticoagulant antidotes comprising antibodies that bind dabigatran and/or related compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486398-B2 Anticoagulant antidotes comprising antibodies that bind dabigatran and/or related compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120276123-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
US-20120276123-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
US-20120027780-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120027780-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011089183-A2 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (5 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-20150210778-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 ALDH1A1 757/4885MAPK1 3002/4885MEN1 2791/4885
US-20120027780-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 ALDH1A1 757/4885MAPK1 3002/4885MEN1 2791/4885
US-20140377265-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 ALDH1A1 757/4885MAPK1 3002/4885MEN1 2791/4885
US-20130289248-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 ALDH1A1 757/4885MAPK1 3002/4885MEN1 2791/4885
US-20120276123-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 ALDH1A1 757/4885MAPK1 3002/4885MEN1 2791/4885

“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.