SCHEMBL7963508

SCHEMBL7963508

O=C1C=CN(C(=O)c2sccc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.39
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR1A P08908 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7961707 0.80 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL7960488 0.74 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL7951898 0.69 SMN1; SMN2 (0.47) SMN1; SMN2GAAKMT2ANPSR1ALDH1A1
SCHEMBL7960325 0.69 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7962014 0.69 SMN1; SMN2 (0.44) SMN1; SMN2POLBGAAKMT2AALDH1A1
SCHEMBL7952144 0.69 SMN1; SMN2 (0.44) SMN1; SMN2GAAKMT2ANPSR1ALDH1A1
SCHEMBL7952517 0.69 SMN1; SMN2 (0.44) SMN1; SMN2GAAKDM4E
SCHEMBL5544959 0.69 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9939750 0.67 SMN1; SMN2 (0.57) SMN1; SMN2
SCHEMBL29939218 0.67 CA12 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-6211189-B1 NITRIC OXIDE SYNTHASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS ASTRAZENECA UK LIMITED (GB) 2001-04-03 US disclosed
US-6083952-A Compounds ASTRA PHARMACEUTICALS LIMITED (GB) 2000-07-04 US disclosed
EP-1000064-A1 COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999001455-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-14 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 SMN1; SMN2 2461/4885CA12 2509/4885CA1 816/4885

“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.