SCHEMBL12494495

SCHEMBL12494495

O=[N+]([O-])c1ccc(CCCc2nccs2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL12494859 0.77 CYP2C19 (0.40) LMNAKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL4834387 0.77 TSHR (0.49) POLBMAPTLMNAKDM4ENPC1
SCHEMBL13555429 0.76 MAPT (0.49) POLBMAPTNPC1PKMGAA
SCHEMBL8701323 0.75 MAPT (0.48) POLBMAPTNPC1PKMGAA
SCHEMBL10992041 0.75 ADRA2A (0.46) POLBMAPTLMNAKDM4EPKM
SCHEMBL12495016 0.74 POLB (0.43) POLBMAPTLMNAKDM4ENPC1
SCHEMBL15496909 0.74 POLB (0.41) POLBMAPTLMNAKDM4EPKM
SCHEMBL19122581 0.74 KCNH2 (0.49) POLBMAPTNPC1PKMGAA
SCHEMBL21280378 0.74 KCNH2 (0.49) POLBMAPTNPC1PKMGAA
SCHEMBL12526403 0.72 ADRA2A (0.48) POLBMAPTLMNAPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683694-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2016-04-27 — — EP disclosed
EP-2683694-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2016-04-27 — — EP disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 — — US disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 — — US disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 — — US disclosed
US-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-03-06 — — US disclosed
US-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-03-06 — — US disclosed
US-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-03-06 — — US disclosed
EP-2683694-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Suzhou Kintor Pharmaceuticals,inc. (CN) 2014-01-15 — — EP disclosed
WO-2012119559-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS,INC. (CN) 2012-09-13 — — WO disclosed
WO-2012119559-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS,INC. (CN) 2012-09-13 — — 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-20140066425-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, NR5A1 POLB 2039/4885MAPT 2246/4885LMNA 3759/4885

“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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