SCHEMBL17141925

SCHEMBL17141925

Sc1nc2ccccc2nc1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTPN1 P18031 1/20 0.49
HRH4 Q9H3N8 2/20 0.47
HRH1 P35367 1/20 0.47
MAOB P27338 2/20 0.44
MAOA P21397 2/20 0.44
CALM1 P0DP23 1/20 0.42
LTB4R Q15722 1/20 0.42

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
SCHEMBL28118305 0.85 GAA (0.56) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL3611417 0.76 TDP1 (0.54) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL7623426 0.76 MAOB (0.49) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL28175543 0.73 KMT2A (0.62) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL21306242 0.73 CALM1 (0.61) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL594018 0.72 MAPT (0.62) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15958609 0.72 L3MBTL1 (0.58) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL11166760 0.72 ALDH1A1 (0.62) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL3994363 0.72 MEN1 (0.47) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL7628856 0.72 MEN1 (0.53) GAAKDM4EALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160756-B2 Antiviral compounds and methods using same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-12-25 US disclosed
US-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME Rhe Trustees of The University of Pennsylvania 2017-06-22 US disclosed
US-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME Rhe Trustees of The University of Pennsylvania 2017-06-22 US disclosed
US-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME Rhe Trustees of The University of Pennsylvania 2017-06-22 US disclosed
EP-3126005-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME The Trustees Of The University Of Pennsylvania (US) 2017-02-08 EP disclosed
WO-2015153554-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-10-08 WO disclosed
WO-2015153554-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-10-08 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 (2 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-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, ZC3HAV1L GAA 640/4885KDM4E 2044/4885ALDH1A1 3536/4885
US-10160756-B2 Antiviral compounds and methods using same ZC3HAV1, MAVS, ZC3HAV1L GAA 346/4885KDM4E 1978/4885ALDH1A1 3087/4885

“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.