SCHEMBL505830

SCHEMBL505830

CNc1ccc(C(=O)N(CCC(=O)OC)c2ccccc2)cc1NC(=O)CNc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.37
F2 P00734 2/20 0.36
BRD4 O60885 1/20 0.36
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
MLYCD O95822 1/20 0.35
ADRB2 P07550 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITK Q08881 1/20 0.34

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
SCHEMBL27994268 0.89 F2 (0.43) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL10086158 0.89 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL19157539 0.82 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL17039628 0.81 NQO2 (0.49) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL19157146 0.78 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6774848 0.75 MEN1 (0.42) KMT2AMEN1NPC1F2BRD4
SCHEMBL15107067 0.75 ALDH1A1 (0.47) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL506325 0.74 PRKCI (0.46) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL506730 0.73 F2 (0.68) F2
SCHEMBL18380902 0.72 SMN1; SMN2 (0.42) KMT2AMEN1ALDH1A1MAPTGAA

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 23 patents — showing the first 20. 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-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
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-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
WO-2012130834-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 WO disclosed
WO-2012130834-A1 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 WO 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
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 KMT2A 2718/4885MEN1 2791/4885NPC1 3655/4885
US-20120027780-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 KMT2A 2718/4885MEN1 2791/4885NPC1 3655/4885
US-20140377265-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 KMT2A 2718/4885MEN1 2791/4885NPC1 3655/4885
US-20130289248-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 KMT2A 2718/4885MEN1 2791/4885NPC1 3655/4885
US-20120276123-A1 ANTICOAGULANT ANTIDOTES SERPINC1, KCNH1, ANTXR2 KMT2A 2718/4885MEN1 2791/4885NPC1 3655/4885

“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.