SCHEMBL9310993

SCHEMBL9310993

CCCc1cc(O)nc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
SREBF2 Q12772 5/20 0.40
BACE1 P56817 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11070549 0.83
SCHEMBL1128418 0.83 NOS3 (0.42) NOS2NOS3SREBF2ALDH1A1SMN1; SMN2
SCHEMBL13026558 0.78 NOS2 (0.48) NOS2NOS3NOS1SREBF2BACE1
SCHEMBL21090979 0.78 NOS2 (0.48) NOS2NOS3NOS1SREBF2BACE1
SCHEMBL30227466 0.78 NOS2 (0.48) NOS2NOS3NOS1SREBF2BACE1
Propylthiouracil SCHEMBL4446870 0.78 SREBF2 (0.42) NOS2NOS3NOS1SREBF2BACE1
SCHEMBL13153625 0.78 NOS2 (0.48) NOS2NOS3NOS1SREBF2BACE1
SCHEMBL8545461 0.77 SMN1; SMN2 (0.41) ALDH1A1KDM4ESMN1; SMN2
Propylthiouracil SCHEMBL11615920 0.76 NOS3 (0.39) NOS2NOS3NOS1SREBF2BACE1
Propylthiouracil SCHEMBL5548120 0.76 SREBF2 (0.41) NOS2NOS3NOS1SREBF2BACE1

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-20080193397-A1 Use of Peroxide Decomposers Method For the Treatment of a Material Other Than the Human Body BASF AKTIENGESELLSCAFT (DE) 2008-08-14 US disclosed
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 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-20080193397-A1 Use of Peroxide Decomposers Method For the Treatment of a Material Other Than the Human Body GPX4, LPO, GPX1 NOS2 314/4885NOS3 354/4885NOS1 279/4885

“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.