SCHEMBL7790465

SCHEMBL7790465

CC(=O)c1cccc2c1Sc1ccccc1O2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
CYP2C9 P11712 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.33
PBRM1 Q86U86 1/20 0.33
NSD2 O96028 1/20 0.33
TRPA1 O75762 1/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL27924285 0.88 ALOX5 (0.38) ALOX5CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL6450659 0.85 TRPA1 (0.42) ALOX5CYP2C9KDM4EALDH1A1ATM
SCHEMBL30445395 0.83 BCHE (0.42) CYP2C9ALDH1A1NPSR1MEN1KMT2A
SCHEMBL28019646 0.83 P2RX4 (0.35) ALOX5CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL9495694 0.83 ALOX5 (0.51) ALOX5KDM4EALDH1A1KMT2AATM
SCHEMBL11825239 0.83 ALOX5 (0.38) ALOX5CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL706922 0.83 ALOX5 (0.38) ALOX5CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL28049446 0.81 LMNA (0.38) CYP2C9KDM4EALDH1A1NPSR1MEN1
SCHEMBL9496241 0.80 TSHR (0.53) CYP2C9KDM4EALDH1A1NPSR1MEN1
SCHEMBL10514539 0.79 TSHR (0.35) ALOX5ALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 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-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP ALOX5 4770/4885CYP2C9 4873/4885NOX1 1321/4885

“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.