SCHEMBL18996008

SCHEMBL18996008

CC(=O)CN1CCCC(c2nc3ccccc3s2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEDD4 P46934 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 6/20 0.53
UBE2M P61081 7/20 0.51
DCUN1D1 Q96GG9 7/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
GALR3 O60755 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL2554488 0.81 SMN1; SMN2 (0.64) NEDD4SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL18996015 0.80 NEDD4 (0.64) NEDD4SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL17141992 0.79 NEDD4 (0.71) NEDD4SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL18996014 0.79 NEDD4 (0.57) NEDD4SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL17141932 0.78 NEDD4 (0.58) NEDD4SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL17141928 0.78 NEDD4 (0.56) NEDD4SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL17141994 0.77 NEDD4 (1.00) NEDD4SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL18658188 0.76 UBE2M (0.78) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL7931954 0.75 UBE2M (0.70) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL5306485 0.75 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1KMT2AGAALMNA

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 2 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 disclosed
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 2641/4885SMN1; SMN2 536/4885ALDH1A1 3536/4885

“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.