SCHEMBL17130752

SCHEMBL17130752

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
MAPT P10636 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.66
LMNA P02545 1/20 0.66
KMT2A Q03164 2/20 0.65
HTT P42858 1/20 0.65
POLB P06746 4/20 0.64
RAB9A P51151 2/20 0.64
RECQL P46063 2/20 0.64
KLK7 P49862 1/20 0.64
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 1/20 0.61
ESR2 Q92731 1/20 0.60
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL17130648 0.86 SMN1; SMN2 (0.77) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A
SCHEMBL17130650 0.86 SMN1; SMN2 (0.80) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A
SCHEMBL17130737 0.86 SMN1; SMN2 (0.66) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A
SCHEMBL17130733 0.85 SMN1; SMN2 (0.79) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A
SCHEMBL17130742 0.84 SMN1; SMN2 (0.70) SMN1; SMN2MAPTL3MBTL1KMT2AHTT
SCHEMBL11887745 0.82 POLB (0.78) SMN1; SMN2MAPTLMNAKMT2AHTT
SCHEMBL17130747 0.81 KLK7 (0.74) SMN1; SMN2MAPTL3MBTL1KMT2AHTT
SCHEMBL17130736 0.81 MAPT (0.78) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A
SCHEMBL17130756 0.81 SMN1; SMN2 (0.72) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A
SCHEMBL17130734 0.81 KLK7 (0.73) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A

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 2922/4885L3MBTL1 2929/4885

“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.