SCHEMBL17142010

SCHEMBL17142010

Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(c2nc3ccccc3o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEDD4 P46934 1/20 0.57
USP2 O75604 1/20 0.52
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
KLK6 Q92876 3/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2B P41595 1/20 0.46
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL17142028 0.96 NEDD4 (0.53) NEDD4USP2LMNASMN1; SMN2ALDH1A1
SCHEMBL17141999 0.88 USP2 (0.55) USP2LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL17142016 0.80 NEDD4 (0.82) NEDD4LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL17141957 0.76 DRD4 (0.44) USP2LMNAALDH1A1HTTNPSR1
SCHEMBL17142014 0.76 NEDD4 (0.76) NEDD4LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL17141994 0.73 NEDD4 (1.00) NEDD4LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL17142002 0.69 NEDD4 (0.76) NEDD4LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL20037309 0.69 LMNA (0.77) LMNASMN1; SMN2ALDH1A1HTTKLK6
SCHEMBL27969428 0.68 BCHE (0.59) USP2LMNAALDH1A1NPSR1HTR2B
SCHEMBL5014847 0.68 LMNA (0.73) USP2LMNASMN1; SMN2ALDH1A1NPSR1

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 2641/4885USP2 3901/4885LMNA 2215/4885
US-10160756-B2 Antiviral compounds and methods using same ZC3HAV1, MAVS, ZC3HAV1L NEDD4 2208/4885USP2 3933/4885LMNA 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.