SCHEMBL12495195

SCHEMBL12495195

O=[N+]([O-])c1ccc(CCCc2ncc[nH]2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KCNJ1 P48048 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TBXAS1 P24557 2/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ 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
SCHEMBL7117502 0.79 KMT2A (0.48) ALDH1A1KCNJ1LMNAMAPTMEN1
SCHEMBL12495016 0.75 POLB (0.43) ALDH1A1KCNJ1LMNAMAPTPKM
SCHEMBL15496854 0.75 ALDH1A1 (0.37) ALDH1A1KCNJ1LMNAMAPTKMT2A
SCHEMBL7117498 0.75 ALDH1A1 (0.45) ALDH1A1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL11039438 0.75 TBXAS1 (0.48) ALDH1A1KCNJ1LMNAMAPTMEN1
SCHEMBL5191160 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1NPC1HSP90AA1
SCHEMBL12495128 0.74 GFER (0.40) ALDH1A1KCNJ1LMNAMAPTHIF1A
SCHEMBL15228300 0.74 ALDH1A1 (0.54) ALDH1A1MAPTHIF1AKDM4ETDP1
SCHEMBL15580197 0.73 NPC1 (0.49) ALDH1A1LMNAMAPTPKMMEN1
SCHEMBL8684968 0.72 KCNH2 (0.49) LMNAMAPTMEN1NPC1HSP90AA1

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 ALDH1A1 450/4885KCNJ1 3801/4885LMNA 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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