SCHEMBL713874

SCHEMBL713874

NCCCN(CCCN)CCCN(CCCN)CCCN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.48
NFKB1 P19838 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
DNM1 Q05193 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
CHRM2 P08172 1/20 0.38

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
SCHEMBL13913105 1.00 LCK (0.48) LCKNFKB1CA12CA1CA2
SCHEMBL10051135 1.00 LCK (0.48) LCKNFKB1CA12CA1CA2
SCHEMBL13748668 1.00 LCK (0.48) LCKNFKB1CA12CA1CA2
SCHEMBL17123444 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL15790833 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL2055292 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL3319406 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL2609752 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL3320230 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL62173 0.96 NFKB1 (0.46) LCKNFKB1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725756-A2 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING AMINES, OR COLORANTS, AND AN ADDUCT OF THE THREE COMPOUNDS N-(N-BUTYL) THIOPHOSPHORIC ACID TRIAMIDE (NBPT), UREA, AND FORMALDEHYDE BASF SE (DE) 2020-10-21 EP claimed
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-12-28 US claimed
EP-2151462-B1 Benzylated aminopropylated alkylenediamines and uses thereof AIR PROD & CHEM (US) 2016-09-07 EP claimed
EP-2157113-B2 Alkylated aminopropylated ethylenediamines and uses thereof AIR PROD & CHEM (US) 2014-06-25 EP claimed
US-8318309-B2 Benzylated aminopropylated alkylenediamines and uses thereof AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-11-27 US claimed
US-8198395-B2 Alkylated aminopropylated ethylenediamines and uses thereof AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-06-12 US claimed
EP-2157113-B1 Alkylated aminopropylated ethylenediamines and uses thereof AIR PROD & CHEM (US) 2011-09-07 EP claimed
EP-2157113-A2 Alkylated aminopropylated ethylenediamines and uses thereof Air Products and Chemicals, Inc. (US) 2010-02-24 EP claimed
EP-2151462-A2 Benzylated aminopropylated ethylenediamines and uses thereof Air Products and Chemicals, Inc. (US) 2010-02-10 EP claimed
US-20090030125-A1 Benzylated Aminopropylated Ethylenediamines And Uses Thereof AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-01-29 US claimed
US-20090030159-A1 Alkylated Aminopropylated Ethylenediamines And Uses Thereof AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-01-29 US claimed
EP-0790976-B1 PROCESS FOR PREPARING AMINES FROM COMPOUNDS WITH AT LEAST 3 CYANO GROUPS BASF AG (DE) 1999-04-21 EP claimed
EP-4572882-A1 PROCESS FOR PRODUCING MICROPARTICLES BASF SE (DE) 2025-06-25 EP disclosed
CN-119189465-B Unidirectional easy-tearing composite packaging film and preparation method and application thereof 江苏利特尔绿色包装股份有限公司 2025-04-18 CN disclosed
CN-119189465-A Unidirectional easy-tearing composite packaging film and preparation method and application thereof 江苏利特尔绿色包装股份有限公司 2024-12-27 CN disclosed
US-20240317653-A1 USE OF A CATION SOURCE TO PREVENT DECOMPOSITION OF (THIO)PHOSPHORIC ACID TRIAMIDE UREASE INHIBITORS WHEN A PHOSPHORUS-CONTAINING FERTILIZER IS PRESENT BASF SE (DE) 2024-09-26 US disclosed
US-6300305-B1 BOOSTING DETERGENTS BY MIXING WITH AMINES FOR FABRICS BASF AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
US-6180590-B1 USE OF A CYCLOPOLYAMINE AS DETERGENCY BOOSTER, PREFERABLY IN TEXTILE DETERGENTS, ESPECIALLY IN COLOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
US-6083898-A Water-soluble or water-dispersible cross-linked nitrogenated compounds in washing and cleaning agents BASF AKTIENGESELLSCHAFT (DE) 2000-07-04 US disclosed
US-5750788-A Preparation of amines from compounds having at least 3 cyano groups BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 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 (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-20090030159-A1 Alkylated Aminopropylated Ethylenediamines And Uses Thereof CYP19A1, ESR1, PNMT LCK 3786/4885NFKB1 1469/4885CA12 3797/4885
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS SLC14A1, XDH, PNP LCK 4708/4885NFKB1 3058/4885CA12 314/4885
US-20090030125-A1 Benzylated Aminopropylated Ethylenediamines And Uses Thereof AADAT, PNMT, CYP19A1 LCK 4388/4885NFKB1 704/4885CA12 3633/4885

“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.