SCHEMBL548372

SCHEMBL548372

c1ccn(N2CCCC2)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 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
SCHEMBL1478221 0.97 MAPK1 (0.34) MAPK1
SCHEMBL6427566 0.93
SCHEMBL11053976 0.86
SCHEMBL4515851 0.73 ADRB1 (0.36)
SCHEMBL30201385 0.69
SCHEMBL3918550 0.67
SCHEMBL78337 0.64 MGLL (0.33)
SCHEMBL515359 0.64 MGLL (0.33)
SCHEMBL102770 0.64 POLB (0.33)
SCHEMBL540364 0.64 NFKB1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9865823-B2 Quinolinium dyes with fluorinated counter anion for dye sensitized solar cells BASF SE (DE) 2018-01-09 US claimed
US-20150108415-A1 QUINOLINIUM DYES WITH FLUORINATED COUNTER ANION FOR DYE SENSITIZED SOLAR CELLS BASF SE (DE) 2015-04-23 US claimed
EP-2831180-A1 QUINOLINIUM DYES WITH FLUORINATED COUNTER ANION FOR DYE SENSITIZED SOLAR CELLS BASF SE (DE) 2015-02-04 EP claimed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US claimed
WO-2013144177-A1 QUINOLINIUM DYES WITH FLUORINATED COUNTER ANION FOR DYE SENSITIZED SOLAR CELLS BASF SE (DE) 2013-10-03 WO claimed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US claimed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US claimed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US claimed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO claimed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
WO-2000059836-A1 USE OF AN ACRYLIC POLYMER OR FUNCTIONALIZED SILICA SUPPORT IN SUPPORTED CATALYSIS SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 2000-10-12 WO claimed
US-6117865-A FOR CONTROLLING FUNGUS IN PLANTS AMERICAN CYANAMID COMPANY (US) 2000-09-12 US claimed
US-5958903-A CHOLINESTERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-09-28 US claimed
US-5773444-A Quinazolines as inhibitors of endothelin converting enzyme WARNER-LAMBERT COMPANY (US) 1998-06-30 US claimed
EP-0839149-A1 GALANTHAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-05-06 EP claimed
EP-0821585-A1 USE OF $g(a) 1L? AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1998-02-04 EP claimed
US-5658902-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-08-19 US claimed
WO-1997003987-A1 NOVEL GALANTHAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-02-06 WO claimed
WO-1996032939-A1 USE OF α1L AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1996-10-24 WO 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 (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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 MAPK1 1907/4885
US-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 MAPK1 1591/4885
US-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MAPK1 4523/4885

“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.