SCHEMBL6027557

SCHEMBL6027557

NC(=O)c1nccc2ccc(C(=O)O)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.64
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
KDM4E B2RXH2 4/20 0.43
KDM4A O75164 4/20 0.43
KDM5C P41229 4/20 0.43

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
SCHEMBL28608865 0.88 PLAU (0.60) PLAUGABRPGABRDGABRA1GABRB1
SCHEMBL28216401 0.87 PLAU (0.52) PLAUGABRPGABRDGABRA1GABRB1
SCHEMBL6978513 0.80 PLAU (0.63) PLAUGABRPGABRDGABRA1GABRB1
SCHEMBL17053153 0.77 PLAU (0.59) PLAUGABRPGABRDGABRA1GABRB1
SCHEMBL30527962 0.77 PLAU (0.59) PLAUGABRPGABRDGABRA1GABRB1
SCHEMBL2671644 0.77 PLAU (0.59) PLAUGABRPGABRDGABRA1GABRB1
SCHEMBL16246728 0.76 PLAU (0.38) PLAUKDM4EIGFBP3APAF1NSD2
Trifluoroacetic Acid SCHEMBL6978086 0.76 PLAU (0.55) PLAUGABRPGABRDGABRA1GABRB1
SCHEMBL4279451 0.75 RAB9A (0.50) PLAUKDM4EALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL6999130 0.75 PLAU (0.57) PLAUGABRPGABRDGABRA1GABRB1

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
CN-107949559-A Bicyclic fused heteroaryl or aryl compounds as IRAK4 modulators 辉瑞公司 2018-04-20 CN disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 PLAU 3982/4885GABRP 3035/4885GABRD 4387/4885

“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.