SCHEMBL17130650

SCHEMBL17130650

Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(O)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.80
MAPT P10636 2/20 0.74
KMT2A Q03164 3/20 0.71
HTT P42858 1/20 0.71
POLB P06746 4/20 0.69
RAB9A P51151 2/20 0.69
RECQL P46063 1/20 0.69
KLK7 P49862 1/20 0.69
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 1/20 0.65
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 1/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
RXFP1 Q9HBX9 1/20 0.60
ESR2 Q92731 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL17130733 0.89 SMN1; SMN2 (0.79) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130648 0.88 SMN1; SMN2 (0.77) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130752 0.86 SMN1; SMN2 (0.74) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL11887745 0.86 POLB (0.78) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130736 0.85 MAPT (0.78) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130747 0.85 KLK7 (0.74) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130756 0.85 SMN1; SMN2 (0.72) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130734 0.84 KLK7 (0.73) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130742 0.83 SMN1; SMN2 (0.70) SMN1; SMN2MAPTKMT2AHTTPOLB
SCHEMBL17130740 0.83 SMN1; SMN2 (0.70) SMN1; SMN2MAPTKMT2AHTTPOLB

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-20180179166-A1 SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE VIROCARB INC (CA) 2018-06-28 US disclosed
WO-2015143535-A1 SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE VIROCARB INC. (CA) 2015-10-01 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 (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-20180179166-A1 SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE CD4, HAVCR2, CCR5 SMN1; SMN2 4801/4885MAPT 2922/4885KMT2A 3489/4885

“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.