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SCHEMBL448170

SCHEMBL448170

CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.76
▸ ALDH1A1 P00352 2/20 0.74
▸ MAPT P10636 1/20 0.74
▸ KMT2A Q03164 5/20 0.71
▸ MEN1 O00255 4/20 0.71
▸ POLB P06746 2/20 0.64
▸ VCAM1 P19320 1/20 0.63
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ ACHE P22303 1/20 0.56

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
SCHEMBL25754709 0.87 LMNA (1.00) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL2651807 0.85 ALDH1A1 (1.00) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL14093747 0.85 LMNA (0.71) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL7651505 0.84 LMNA (0.78) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL29072356 0.83 LMNA (0.72) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL5726074 0.83 ATM (0.63) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL17007457 0.83 LMNA (0.76) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL29478515 0.83 LMNA (0.76) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL30976592 0.83 LMNA (0.76) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL4982309 0.83 MEN1 (0.90) LMNAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 — — CN disclosed
CN-106674176-B 7-substituted-4-aryl coumarin compound and preparation method and application thereof 西安交通大学 2019-12-24 — — CN disclosed
EP-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 — — EP disclosed
CN-106674176-A 7-substituted-4-aryl coumarins compound, and preparation method and application thereof 西安交通大学 2017-05-17 — — CN disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — US disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — US disclosed
EP-3019493-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 — — EP disclosed
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 — — WO disclosed
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 — — WO disclosed
WO-2015004075-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 — — WO disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 — — US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — 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-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BRD4, BRDT, BET1 LMNA 1083/4885ALDH1A1 4454/4885MAPT 1133/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LMNA 1555/4885ALDH1A1 389/4885MAPT 4232/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO LMNA 1574/4885ALDH1A1 261/4885MAPT 4734/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 LMNA 1374/4885ALDH1A1 2811/4885MAPT 1883/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LMNA 1555/4885ALDH1A1 389/4885MAPT 4232/4885

“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.