SCHEMBL2933468

SCHEMBL2933468

Nc1ccccc1NC1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.96
GAA P10253 4/20 0.96
MAPT P10636 3/20 0.96
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
IDO1 P14902 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
AOC1 P19801 2/20 0.40

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
SCHEMBL31069575 1.00 KDM4E (0.96) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL541824 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL29922301 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL5450859 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL17874938 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL23016005 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL20333672 0.96 KDM4E (0.89) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL720368 0.91 MAPT (0.81) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL30657522 0.91 MAPT (0.81) KDM4EGAAMAPTHDAC1HDAC3
Hydrochloric Acid SCHEMBL28010549 0.89 MAPT (0.78) KDM4EGAAMAPTHDAC1HDAC3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 WO disclosed
WO-2017053564-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2017-03-30 WO disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
CN-102918073-A Polyurethane compositions with improved impact resistance and optical properties DOW GLOBAL TECHNOLOGIES LLC 2013-02-06 CN disclosed
CN-102432799-A Phase-stable polyol mixture BAYER MATERIALSCIENCE LLC 2012-05-02 CN disclosed
CN-101321795-B RIM elastomers based on isocyanurates of isophorone diisocyanate and prepolymers thereof BAYER MATERIALSCIENCE LLC 2011-09-28 CN disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7538115-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-26 US disclosed
CN-101321795-A RIM elastomers based on isocyanurates of isophorone diisocyanate and prepolymers thereof BAYER MATERIALSCIENCE LLC (US) 2008-12-10 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
CN-101300283-A Polyurethane-urea elastomers BAYER MATERIALSCIENCE LLC (US) 2008-11-05 CN disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO disclosed
EP-1487821-B1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2007-03-21 EP disclosed
US-7026312-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-29 US disclosed
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2003-12-25 US 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 KDM4E 2662/4885GAA 896/4885MAPT 3785/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 KDM4E 2411/4885GAA 893/4885MAPT 3569/4885
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D KDM4E 4507/4885GAA 2132/4885MAPT 1153/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KDM4E 769/4885GAA 1732/4885MAPT 1464/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 KDM4E 4508/4885GAA 2148/4885MAPT 1166/4885

“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.