SCHEMBL17141990

SCHEMBL17141990

Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEDD4 P46934 1/20 1.00
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BACE1 P56817 1/20 0.46

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
SCHEMBL18996019 0.93 NEDD4 (0.86) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141988 0.91 NEDD4 (0.83) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL18996018 0.90 NEDD4 (0.81) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141933 0.89 NEDD4 (0.79) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141961 0.88 NEDD4 (0.78) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141981 0.87 NEDD4 (0.76) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141916 0.84 NEDD4 (0.72) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141953 0.83 NEDD4 (0.71) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141919 0.83 NEDD4 (0.71) NEDD4LMNAALDH1A1MAPK1MAPT
SCHEMBL17141921 0.83 NEDD4 (0.71) NEDD4LMNAALDH1A1MAPK1MAPT

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-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
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 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-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO disclosed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 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
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 (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-20170174678-A1 NOVEL ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, ZC3HAV1L NEDD4 2641/4885LMNA 2215/4885ALDH1A1 3536/4885
US-10160756-B2 Antiviral compounds and methods using same ZC3HAV1, MAVS, ZC3HAV1L NEDD4 2208/4885LMNA 2151/4885ALDH1A1 3087/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 NEDD4 2229/4885LMNA 2595/4885ALDH1A1 3582/4885

“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.