SCHEMBL12494943

SCHEMBL12494943

O=[N+]([O-])c1ccc(CCCC2=NCCN2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ NISCH Q9Y2I1 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ PTGIR P43119 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ TAAR1 Q96RJ0 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
SCHEMBL3721781 0.81 GFER (0.54) GFERPOLBMAOAMAOBNISCH
Hydrochloric Acid SCHEMBL4714075 0.75 MAOA (0.59) GFERPOLBMAOAMAOBNISCH
Hydrochloric Acid SCHEMBL27650682 0.75 MAOA (0.59) GFERPOLBMAOAMAOBNISCH
SCHEMBL12495128 0.75 GFER (0.40) GFERMAOAMAOBNISCHPTGIR
Hydrochloric Acid SCHEMBL4714070 0.74 MAOA (0.58) GFERPOLBMAOAMAOBNISCH
SCHEMBL12495016 0.74 POLB (0.43) POLBPKMMAPT
SCHEMBL13555429 0.73 MAPT (0.49) GFERPOLBPKMMAPT
Hydrochloric Acid SCHEMBL3060877 0.73 NISCH (0.61) GFERMAOAMAOBNISCHMAPT
SCHEMBL12494495 0.72 POLB (0.41) POLBPKMMAPT
SCHEMBL8701323 0.72 MAPT (0.48) GFERPOLBPKMMAPT

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
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-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 GFER 575/4885POLB 2039/4885MAOA 2582/4885

“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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