SCHEMBL4103052

SCHEMBL4103052

C=C1CN(C=O)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD4 P01730 8/20 0.88
SORT1 Q99523 1/20 0.88
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7616547 0.94 CD4 (1.00) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL13925215 0.88 CD4 (0.89) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4109293 0.88 CD4 (0.89) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL21361470 0.87 CD4 (0.86) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4114419 0.85 CD4 (0.84) CD4SORT1TSHRALDH1A1LMNA
SCHEMBL13925192 0.84 CD4 (0.81) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4274368 0.84 CD4 (0.81) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4114397 0.84 CD4 (0.80) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL13925218 0.83 CD4 (0.80) CD4SORT1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4113774 0.83 CD4 (0.80) CD4SORT1TSHRSMN1; SMN2ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1996025167-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-08-22 WO claimed
US-20090048222-A1 Triaza Compound Immunoregulatory Agents BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO 2009-02-19 US disclosed
US-20090048222-A1 Triaza Compound Immunoregulatory Agents BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO 2009-02-19 US disclosed
US-20090048222-A1 Triaza Compound Immunoregulatory Agents BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO 2009-02-19 US disclosed
US-20040220164-A1 Triaza compound immunoregulatory agents BELL THOMAS (US) 2004-11-04 US disclosed
WO-2002080856-A2 TRIAZA COMPOUND IMMUNOREGULATORY AGENTS UNIVERSITY AND COMMUNITY COLLEGE SYSTEM OF NEVADA ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2002-10-17 WO disclosed
US-20020019423-A1 Anti-viral triaza compounds BELL THOMAS W (US) 2002-02-14 US disclosed
US-6342492-B1 VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-01-29 US disclosed
EP-0809504-A4 ANTI-VIRAL TRIAZA COMPOUNDS UNIV NEW YORK STATE RES FOUND (US) 1998-11-04 EP disclosed
EP-0809504-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-12-03 EP disclosed
US-5663161-A TRIAZACYCLO COMPOUNDS AS VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-09-02 US disclosed
WO-1996025167-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-08-22 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 (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-20020019423-A1 Anti-viral triaza compounds ZC3HAV1, MAVS, BAZ1A CD4 10/4885SORT1 4881/4885TSHR 2057/4885
US-20040220164-A1 Triaza compound immunoregulatory agents CD4, NFATC1, IKZF3 CD4 1/4885SORT1 4792/4885TSHR 463/4885
US-20090048222-A1 Triaza Compound Immunoregulatory Agents CD4, NFATC1, IKZF3 CD4 1/4885SORT1 4792/4885TSHR 463/4885

“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.