SCHEMBL7078985

SCHEMBL7078985

COc1ccc(C(=O)NCc2cccnc2)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
ALDH1A1 P00352 4/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
USP2 O75604 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
LMNA P02545 2/20 0.65
MAPK1 P28482 1/20 0.65
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
TSHR P16473 2/20 0.64
BLM P54132 1/20 0.64
CYP2C19 P33261 1/20 0.63
HTT P42858 2/20 0.62
MAPT P10636 1/20 0.62
MMP13 P45452 1/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
RECQL P46063 1/20 0.58
NAMPT P43490 1/20 0.58
TRPV1 Q8NER1 1/20 0.57

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
SCHEMBL24685295 0.83 MEN1 (0.64) GAAALDH1A1L3MBTL1USP2NPSR1
SCHEMBL8326064 0.83 GAA (1.00) GAAALDH1A1L3MBTL1USP2NPSR1
SCHEMBL29801234 0.83 MEN1 (0.64) GAAALDH1A1L3MBTL1USP2NPSR1
SCHEMBL7531532 0.82 HTT (0.64) GAAALDH1A1L3MBTL1USP2NPSR1
SCHEMBL7082686 0.81 TSHR (0.73) GAAALDH1A1USP2NPSR1LMNA
SCHEMBL13451018 0.81 CA2 (0.63) GAAALDH1A1L3MBTL1USP2NPSR1
SCHEMBL31253074 0.81 L3MBTL1 (0.75) GAAALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL23063879 0.81 L3MBTL1 (0.75) GAAALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL21246557 0.80 L3MBTL1 (0.55) GAAALDH1A1L3MBTL1USP2NPSR1
SCHEMBL21246556 0.80 NAMPT (0.59) GAAALDH1A1L3MBTL1USP2NPSR1

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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 GAA 2447/4885ALDH1A1 3603/4885L3MBTL1 4539/4885

“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.