SCHEMBL17142013

SCHEMBL17142013

Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1c(C)n[nH]c1C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NEDD4 P46934 1/20 0.69
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
RXFP1 Q9HBX9 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL17141924 0.87 LMNA (0.59) NEDD4LMNAMAPTRXFP1TP53
SCHEMBL18996019 0.82 NEDD4 (0.86) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141990 0.82 NEDD4 (1.00) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141923 0.81 NEDD4 (0.70) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141978 0.80 NEDD4 (0.69) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141981 0.78 NEDD4 (0.76) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141916 0.78 NEDD4 (0.72) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141988 0.78 NEDD4 (0.83) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141919 0.78 NEDD4 (0.71) NEDD4ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17141953 0.78 NEDD4 (0.71) NEDD4ALDH1A1LMNAMAPK1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2641/4885ALDH1A1 3536/4885LMNA 2215/4885
US-10160756-B2 Antiviral compounds and methods using same ZC3HAV1, MAVS, ZC3HAV1L NEDD4 2208/4885ALDH1A1 3087/4885LMNA 2151/4885

“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.