SCHEMBL6437093

SCHEMBL6437093

NCCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
KDM4E B2RXH2 1/20 0.75
LMNA P02545 1/20 0.75
PKM P14618 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
MAPK1 P28482 1/20 0.62
TBXA2R P21731 2/20 0.60
TSHR P16473 1/20 0.57
TPSAB1 Q15661 1/20 0.55
CYP3A4 P08684 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
KEAP1 Q14145 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6671584 0.94 ALDH1A1 (0.79) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL11649813 0.93 ALDH1A1 (0.82) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL11623917 0.93 ALDH1A1 (0.82) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL11807867 0.93 ALDH1A1 (0.82) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL12085637 0.92 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL11628667 0.91 ALDH1A1 (0.79) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL7937849 0.90 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL451810 0.88 CYP3A4 (0.69) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL10453840 0.88 ALDH1A1 (0.96) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5015149 0.86 CYP3A4 (0.67) ALDH1A1KDM4ELMNAPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982286-B1 Diene compounds and process for preparing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-02-23 EP 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
US-6323174-B1 PERFUME COMPOSITION AT LEAST COMPRISING 4-METHYL-5-HEXEN-1-AL TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-27 US disclosed
EP-0982286-A2 Diene compounds and process for preparing the same Takasago International Corporation (JP) 2000-03-01 EP 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
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 (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 1847/4885KDM4E 703/4885LMNA 863/4885

“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.