SCHEMBL13335129

SCHEMBL13335129

O=S(=O)(c1cn(-c2ccccc2)c2ccccc12)c1cn(-c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.49
▸ HTR6 P50406 10/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTR7 P34969 1/20 0.40
▸ SCN2B O60939 1/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN1B Q07699 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL28024134 0.85 NR4A2 (0.50) NR4A2HTR6KDM4EPOLBCTDSP1
SCHEMBL12177017 0.75 KDM4E (0.64) NR4A2KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL28024131 0.74 KDM4E (0.47) NR4A2HTR6KDM4EPOLBCTDSP1
SCHEMBL18529341 0.73 CA1 (0.51) NR4A2HTR6KDM4ECA12CA1
SCHEMBL13335076 0.72 KDM4E (0.47) NR4A2KDM4EPOLBCTDSP1CA12
SCHEMBL1881442 0.72 NR4A2 (0.51) NR4A2HTR6KDM4EPOLBCTDSP1
SCHEMBL29355504 0.72 KDM4E (0.47) NR4A2KDM4EPOLBCTDSP1CA12
SCHEMBL15366279 0.72 KDM4E (0.47) NR4A2KDM4EPOLBCTDSP1CA12
SCHEMBL22172195 0.72 KDM4E (0.56) NR4A2KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL152232 0.72 NR4A2 (0.51) NR4A2KDM4EPOLBCTDSP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9472769-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-10-18 — — US disclosed
US-9472769-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-10-18 — — US disclosed
US-20150263296-A1 Organic Electroluminescent Device UDC IRELAND LTD (IE) 2015-09-17 — — US disclosed
US-20150263296-A1 Organic Electroluminescent Device UDC IRELAND LTD (IE) 2015-09-17 — — US disclosed
US-8890122-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2014-11-18 — — US disclosed
US-8890122-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2014-11-18 — — US disclosed
US-20100108995-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-05-06 — — US disclosed
US-20100108995-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-05-06 — — US disclosed
WO-2008123540-A2 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2008-10-16 — — 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 (2 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-20100108995-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDO1, L1CAM, IDO2 NR4A2 2787/4885HTR6 513/4885KDM4E 2225/4885
US-20150263296-A1 Organic Electroluminescent Device IDO1, L1CAM, IDO2 NR4A2 2787/4885HTR6 513/4885KDM4E 2225/4885

“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.

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