SCHEMBL716384

SCHEMBL716384

N#CCCN(CCC#N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
AR P10275 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
DRD3 P35462 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL151627 0.96 ALDH1A1 (0.52) ALDH1A1POLBGAAARTSHR
SCHEMBL3520495 0.94 POLB (0.48) ALDH1A1POLBGAAAR
SCHEMBL10962715 0.93 POLB (0.47) ALDH1A1POLBGAAAR
SCHEMBL712716 0.93 LCK (0.48) ALDH1A1POLBGAAAR
SCHEMBL713869 0.89 HRH3 (0.50) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL148920 0.89 MAOB (0.49) ALDH1A1POLBGAAOPRM1TSHR
SCHEMBL7877735 0.88 ALDH1A1 (0.48) ALDH1A1POLBGAAOPRM1OPRD1
SCHEMBL9016972 0.87 POLB (0.46) ALDH1A1POLBGAAARTSHR
SCHEMBL13426179 0.87 LCK (0.47) ALDH1A1POLBGAA
SCHEMBL17508109 0.86 ALDH1A1 (0.47) ALDH1A1POLBGAAOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809504-B1 ANTI-VIRAL TRIAZACYCLODODECANE UNIV NEW YORK STATE RES FOUND (US) 2002-05-15 EP claimed
US-20020019423-A1 Anti-viral triaza compounds BELL THOMAS W (US) 2002-02-14 US claimed
US-6342492-B1 VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-01-29 US claimed
EP-0809504-A4 ANTI-VIRAL TRIAZA COMPOUNDS UNIV NEW YORK STATE RES FOUND (US) 1998-11-04 EP claimed
EP-0809504-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-12-03 EP claimed
US-5663161-A TRIAZACYCLO COMPOUNDS AS VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-09-02 US claimed
WO-1996025167-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-08-22 WO claimed
US-4505861-A Methods and intermediates for the preparation of spermidine, homospermidine and norspermidine UNIVERSITY OF FLORIDA (US) 1985-03-19 US claimed
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US claimed
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
CN-102531888-B Chemical synthesis method of 3,4,5-trimethoxy benzoyl chloride UNIV WENZHOU 2014-05-14 CN disclosed
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 US disclosed
EP-2511274-A2 Polyamine derivative BASF SE (DE) 2012-10-17 EP disclosed
US-4505861-A Methods and intermediates for the preparation of spermidine, homospermidine and norspermidine UNIVERSITY OF FLORIDA (US) 1985-03-19 US disclosed
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US disclosed
EP-0021361-B1 PROCESS FOR PREPARING PHOSPHORIC ACID PROPARGYL ESTERS BAYER AG (DE) 1982-10-06 EP disclosed
US-4327040-A BASIC CATALYZED REACTION OF PROPARGYL ALCOHOL WITH A PHOSPHORIC ACID CHLORIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
EP-0030661-A2 Insecticidal and acaricidal agents containing propargyl esters of thiono-phosphoric acids BAYER AG (DE) 1981-06-24 EP disclosed
EP-0021361-A1 Process for preparing phosphoric acid propargyl esters BAYER AG (DE) 1981-01-07 EP 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 (1 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-20020019423-A1 Anti-viral triaza compounds ZC3HAV1, MAVS, BAZ1A ALDH1A1 1847/4885POLB 258/4885GAA 608/4885

“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.