SCHEMBL18996015

SCHEMBL18996015

CC1=NCC(C)=C1NC(=O)CN1CCCC(c2nc3ccccc3s2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEDD4 P46934 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ UBE2M P61081 3/20 0.46
▸ DCUN1D1 Q96GG9 3/20 0.46
▸ MGLL Q99685 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL17141992 0.80 NEDD4 (0.71) NEDD4NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL18996008 0.80 NEDD4 (0.62) NEDD4NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL17141994 0.78 NEDD4 (1.00) NEDD4NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL18996014 0.74 NEDD4 (0.57) NEDD4NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL17141928 0.74 NEDD4 (0.56) NEDD4NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL17141932 0.74 NEDD4 (0.58) NEDD4LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2554488 0.71 SMN1; SMN2 (0.64) NEDD4NPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL18658188 0.68 UBE2M (0.78) LMNASMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL17142016 0.68 NEDD4 (0.82) NEDD4LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL17141991 0.67 NPSR1 (0.66) NEDD4NPSR1LMNASMN1; SMN2ALDH1A1

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 1 patent. 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 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 (1 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 2641/4885NPSR1 2058/4885LMNA 2215/4885

“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.

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