SCHEMBL17141978

SCHEMBL17141978

Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1c(C)nn(C)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEDD4 P46934 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.48
RXFP1 Q9HBX9 3/20 0.47
HSD17B10 Q99714 3/20 0.46
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL17141947 0.87 RXFP1 (0.57) NEDD4MAPTLMNARXFP1HSD17B10
SCHEMBL17141990 0.82 NEDD4 (1.00) NEDD4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL17142013 0.80 NEDD4 (0.69) NEDD4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL18996019 0.80 NEDD4 (0.86) NEDD4SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL17141981 0.78 NEDD4 (0.76) NEDD4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL17141916 0.78 NEDD4 (0.72) NEDD4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL17141988 0.78 NEDD4 (0.83) NEDD4SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL17141953 0.78 NEDD4 (0.71) NEDD4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL17141919 0.78 NEDD4 (0.71) NEDD4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL18996018 0.77 NEDD4 (0.81) NEDD4SMN1; SMN2ALDH1A1MAPTMAPK1

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 9 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
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 2641/4885SMN1; SMN2 536/4885CYP2C9 4630/4885
US-10160756-B2 Antiviral compounds and methods using same ZC3HAV1, MAVS, ZC3HAV1L NEDD4 2208/4885SMN1; SMN2 732/4885CYP2C9 4561/4885

“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.