SCHEMBL12495128

SCHEMBL12495128

O=[N+]([O-])c1ccc(CCCC2=NCCN2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.40
▸ PTGIR P43119 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KCNJ1 P48048 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 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 0.79 GFER (0.54) GFERPTGIRKCNJ1MAOAMAOB
SCHEMBL12494943 0.75 GFER (0.44) GFERPTGIRMAPTMAOAMAOB
SCHEMBL12495195 0.74 ALDH1A1 (0.46) MAPTALDH1A1LMNAKCNJ1HIF1A
Hydrochloric Acid SCHEMBL4714075 0.73 MAOA (0.59) GFERPTGIRKCNJ1MAOAMAOB
Hydrochloric Acid SCHEMBL27650682 0.73 MAOA (0.59) GFERPTGIRKCNJ1MAOAMAOB
SCHEMBL15228300 0.73 ALDH1A1 (0.54) MAPTALDH1A1HIF1ATDP1
Hydrochloric Acid SCHEMBL4714070 0.72 MAOA (0.58) GFERPTGIRKCNJ1MAOAMAOB
SCHEMBL15580197 0.72 NPC1 (0.49) MAPTALDH1A1LMNACYP1A2
SCHEMBL5827781 0.72 MAOA (0.57) GFERMAPTLMNAMAOAMAOB
SCHEMBL15496854 0.72 ALDH1A1 (0.37) MAPTALDH1A1LMNAKCNJ1HIF1A

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 575/4885PTGIR 123/4885MAPT 2246/4885

“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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