SCHEMBL1997210

SCHEMBL1997210

N#CCC(N)(CC#N)C(N)(CC#N)CC#N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2992485 0.72
SCHEMBL10399668 0.72
SCHEMBL1863727 0.72
SCHEMBL17595579 0.72
SCHEMBL7572872 0.69 LOX (0.33) LOXLOXL3LOXL2
SCHEMBL5174277 0.67
SCHEMBL9537138 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL29834982 0.67
SCHEMBL13623250 0.67 ALDH1A1 (0.36) ALDH1A1TDP1
Hydrochloric Acid SCHEMBL5475854 0.65 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207149-B1 Process for the hydrogenation of nitriles on Raney catalysts BASF AG (DE) 2005-01-26 EP claimed
EP-1209146-B1 Process for the hydrogenation of nitriles to primary amines using Raney-catalysts BASF AG (DE) 2004-06-30 EP claimed
US-6677486-B2 HYDROGENATING NITRITES TO PRIMARY AMINES OVER AN ACTIVATED, ALPHA-ALUMINUM OXIDE(AL2O3)-CONTAINING, MACROPOROUS RANEY CATALYST BASED ON AN ALLOY OF ALUMINUM AND AT LEAST ONE TRANSITION METAL BASF AKTIENGESELLSCHAFT (DE) 2004-01-13 US claimed
US-6469211-B2 CONTINUOUS HYDROGENATION OF NITRITES TO PRIMARY AMINES IN THE LIQUID PHASE OVER A SUSPENDED, ACTIVATED RANEY CATALYST BASED ON AN ALLOY OF ALUMINUM AND AT LEAST ONE TRANSITION METAL, IN ABSENCE OF AMMONIA BASF AKTIENGESELLSCHAFT (DE) 2002-10-22 US claimed
US-20020058841-A1 Hydrogenation of nitriles over Raney catalysts BASF AKTIENGESELLSCHAFT (DE) 2002-05-16 US claimed
US-20020058842-A1 Hydrogenation of nitriles over raney catalysts BASF AKTIENGESELLSCHAFT (DE) 2002-05-16 US claimed
EP-0382508-B1 The preparation of polyamines HAMPSHIRE CHEMICAL CORP (US) 1994-11-30 EP claimed
EP-0212986-B1 Synthesis of aliphatic polyamines GRACE W R & CO (US) 1994-01-19 EP claimed
US-5097072-A Hydrogenation of polynitriles; raney cobalt-nickel catalyst W.R. GRACE & CO.-CONN. (US) 1992-03-17 US claimed
EP-0382508-A2 The preparation of polyamines HAMPSHIRE CHEMICAL CORPORATION (US) 1990-08-16 EP claimed
US-4721811-A Synthesis of aliphatic polyamines W. R. GRACE & CO. (US) 1988-01-26 US claimed
US-4704465-A Process for preparing ethylenediaminetetraacetonitrile MONSANTO COMPANY (US) 1987-11-03 US claimed
EP-0212986-A1 Synthesis of aliphatic polyamines W.R. Grace & Co.-Conn. (US) 1987-03-04 EP claimed
US-4181672-A Process for preparing metal chelates W. R. GRACE & CO. (US) 1980-01-01 US claimed
US-3972876-A Process for the preparation of symmetrical and unsymmetrical azines and mixtures thereof PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-03 US claimed
US-9869027-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9340759-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-17 US disclosed
US-4478759-A Preparation of aminoitriles BASF AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4181672-A Process for preparing metal chelates W. R. GRACE & CO. (US) 1980-01-01 US disclosed
US-4181672-A Process for preparing metal chelates W. R. GRACE & CO. (US) 1980-01-01 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 (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-20020058841-A1 Hydrogenation of nitriles over Raney catalysts NUAK2, NUAK1, WNK3 LOX 2320/4885LOXL3 3378/4885LOXL2 3500/4885
US-20020058842-A1 Hydrogenation of nitriles over raney catalysts NOS2, NPM1, NOS3 LOX 3242/4885LOXL3 4441/4885LOXL2 4544/4885

“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.