SCHEMBL17141933

SCHEMBL17141933

Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NEDD4 P46934 1/20 0.79
NOTUM Q6P988 3/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 3/20 0.46
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CDK2 P24941 1/20 0.43
FLT4 P35916 1/20 0.43

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
SCHEMBL17141990 0.89 NEDD4 (1.00) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL18996019 0.84 NEDD4 (0.86) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL18996018 0.83 NEDD4 (0.81) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL17141988 0.82 NEDD4 (0.83) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL17141961 0.82 NEDD4 (0.78) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL17141953 0.80 NEDD4 (0.71) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL17141981 0.78 NEDD4 (0.76) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL17141916 0.78 NEDD4 (0.72) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL17141919 0.78 NEDD4 (0.71) NEDD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL17141923 0.77 NEDD4 (0.70) NEDD4ALDH1A1MAPTLMNAMAPK1

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 11 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 claimed
US-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME Rhe Trustees of The University of Pennsylvania 2017-06-22 US claimed
EP-3126005-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME The Trustees Of The University Of Pennsylvania (US) 2017-02-08 EP claimed
WO-2015153554-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-10-08 WO claimed
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 NEDD4 2641/4885NOTUM 508/4885ALDH1A1 3536/4885
US-10160756-B2 Antiviral compounds and methods using same ZC3HAV1, MAVS, ZC3HAV1L NEDD4 2208/4885NOTUM 1127/4885ALDH1A1 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.