SCHEMBL714846

SCHEMBL714846

NCCCN(CCCN)CCN(CCCN)CCCN

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.43
LCK P06239 3/20 0.42
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
SCHEMBL16403647 1.00 NFKB1 (0.43) NFKB1LCKCA12CA1CA2
SCHEMBL62173 0.96 NFKB1 (0.46) NFKB1LCKCA12CA1CA2
SCHEMBL14790716 0.93 LCK (0.50) NFKB1LCKCA12CA1CA2
SCHEMBL16492062 0.93 CHRM2 (0.48) NFKB1LCKCA12CA1CA2
SCHEMBL636385 0.92 CHRM2 (0.45) NFKB1LCKCA12CA1CA2
SCHEMBL13913105 0.92 LCK (0.48) NFKB1LCKCA12CA1CA2
SCHEMBL10051135 0.92 LCK (0.48) NFKB1LCKCA12CA1CA2
Ammonia Solution, Strong SCHEMBL2527335 0.92 NFKB1 (0.43) NFKB1LCKCA12CA1CA2
SCHEMBL13748668 0.92 LCK (0.48) NFKB1LCKCA12CA1CA2
SCHEMBL713874 0.92 LCK (0.48) NFKB1LCKCA12CA1CA2

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 283 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-1865013-B1 Polyamide curing agent compositions AIR PROD & CHEM (US) 2015-12-30 EP claimed
EP-2157113-B2 Alkylated aminopropylated ethylenediamines and uses thereof AIR PROD & CHEM (US) 2014-06-25 EP claimed
US-20140044671-A1 AMINE CONDENSATION POLYMERS AS PHOSPHATE SEQUESTRANTS GENZYME CORPORATION (US) 2014-02-13 US claimed
US-8318309-B2 Benzylated aminopropylated alkylenediamines and uses thereof AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-11-27 US claimed
US-20120288471-A1 Amine Condensation Polymers as Phosphate Sequestrants GENZYME CORPORATION (US) 2012-11-15 US claimed
US-8293863-B2 comprising the reaction product of multifunctional amines such as N,N-bis(3-aminopropyl) ethylenediamine, with dimer fatty acids or esters, useful for crosslinking epoxy resins to produce quick-drying coatings, adhesives, floors and composites AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-10-23 US claimed
US-8198395-B2 Alkylated aminopropylated ethylenediamines and uses thereof AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-06-12 US claimed
EP-1921100-A1 Use of a polyamine stream as curing agent in epoxy adhesive and flooring applications Air Products and Chemicals, Inc. (US) 2008-05-14 EP claimed
US-20080085259-A1 Amine condensation polymers as phosphate sequestrants GENZYME CORPORATION 2008-04-10 US claimed
US-20070287808-A1 comprising the reaction product of multifunctional amines such as N,N-bis(3-aminopropyl) ethylenediamine, with dimer fatty acids or esters, useful for crosslinking epoxy resins to produce quick-drying coatings, adhesives, floors and composites AIR PRODUCTS AND CHEMICALS, INC. 2007-12-13 US claimed
US-20070287809-A1 Polyamide Curing Agent Compositions EVONIK OPERATIONS GMBH (DE) 2007-12-13 US claimed
EP-1865013-A1 Polyamide curing agent compositions Air Products and Chemicals, Inc. (US) 2007-12-12 EP claimed
US-20070083030-A1 Highly functional, highly branched polyureas BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US claimed
EP-1716197-A1 HIGHLY FUNCTIONAL, HIGHLY BRANCHED POLYUREAS BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 EP claimed
WO-2005075541-A1 HIGHLY FUNCTIONAL, HIGHLY BRANCHED POLYUREAS BASF AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
US-6916778-B1 UV absorbers with affinity for textile fiber BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US claimed
US-4467055-A REACTION PRODUCT OF POLYAMINE AND CARBOXYLIC ACID RHONE-POULENC CHIMIE DE BASE (FR) 1984-08-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140044671-A1 AMINE CONDENSATION POLYMERS AS PHOSPHATE SEQUESTRANTS PHPT1, CEPT1, PNMT NFKB1 3951/4885LCK 3546/4885CA12 2690/4885
US-20080085259-A1 Amine condensation polymers as phosphate sequestrants PHPT1, CEPT1, PNMT NFKB1 3951/4885LCK 3546/4885CA12 2690/4885
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 NFKB1 3058/4885LCK 4708/4885CA12 314/4885
US-20120288471-A1 Amine Condensation Polymers as Phosphate Sequestrants PHPT1, CEPT1, PNMT NFKB1 3951/4885LCK 3546/4885CA12 2690/4885

“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.