SCHEMBL21172111

SCHEMBL21172111

N#Cc1ccc(-c2oncc2C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.37
CYP11B2 P19099 6/20 0.37
NOTUM Q6P988 2/20 0.37
CYP11B1 P15538 3/20 0.35
MMP3 P08254 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
SLC22A12 Q96S37 4/20 0.34
CYP19A1 P11511 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
SCHEMBL5774139 0.78 ALDH1A1 (0.45)
SCHEMBL25778915 0.76 SLC22A12 (0.43) DHODHCYP11B2NOTUMCYP11B1MMP3
SCHEMBL9114552 0.71 DHODH (0.43) DHODHCYP11B2CYP11B1
SCHEMBL21172100 0.69 CYP11B1 (0.44) DHODHCYP11B2CYP11B1CYP19A1
SCHEMBL16094180 0.68 GSK3B (0.44) CYP11B2NOTUMCYP11B1MMP3MAOA
SCHEMBL2511386 0.68 SLC22A12 (0.49) CYP11B2CYP11B1SLC22A12
SCHEMBL5771770 0.67 CYP11B2 (0.41) DHODHCYP11B2CYP11B1MMP3SLC22A12
SCHEMBL2744983 0.66 XDH (0.47) CYP11B2MMP3MAOAMAOBCA12
SCHEMBL31626634 0.66 SMN1; SMN2 (0.49) CYP11B2CYP11B1
SCHEMBL3189884 0.65 HDAC2 (0.53) CYP11B2MMP3CA12CA1CA2

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-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-07-18 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-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 DHODH 226/4885CYP11B2 244/4885NOTUM 572/4885

“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.