SCHEMBL17142016

SCHEMBL17142016

Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEDD4 P46934 1/20 0.82
LMNA P02545 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 6/20 0.55
HPGD P15428 2/20 0.55
GALR3 O60755 1/20 0.55
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
UBE2M P61081 3/20 0.50
DCUN1D1 Q96GG9 3/20 0.50
HTT P42858 1/20 0.49
KLK6 Q92876 1/20 0.48
ALOX12 P18054 2/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.46
ESR2 Q92731 1/20 0.46
CHRM4 P08173 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 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
SCHEMBL17142014 0.96 NEDD4 (0.76) NEDD4LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL17141994 0.91 NEDD4 (1.00) NEDD4LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL17142002 0.85 NEDD4 (0.76) NEDD4LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL17142010 0.80 NEDD4 (0.57) NEDD4LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL17141959 0.80 NEDD4 (0.56) NEDD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17141967 0.79 UBE2M (0.62) NEDD4LMNAALDH1A1KMT2AGAA
SCHEMBL17142028 0.76 NEDD4 (0.53) NEDD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL19001519 0.76 NEDD4 (0.69) NEDD4LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5306485 0.74 ALDH1A1 (0.71) LMNASMN1; SMN2ALDH1A1HPGDGALR3
SCHEMBL17141991 0.73 NPSR1 (0.66) NEDD4LMNASMN1; SMN2ALDH1A1KMT2A

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 2641/4885LMNA 2215/4885SMN1; SMN2 536/4885
US-10160756-B2 Antiviral compounds and methods using same ZC3HAV1, MAVS, ZC3HAV1L NEDD4 2208/4885LMNA 2151/4885SMN1; SMN2 732/4885

“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.