SCHEMBL564684

SCHEMBL564684

COCOc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
PTGES O14684 2/20 0.44
RAPGEF3 O95398 1/20 0.43
HTT P42858 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL31254046 0.88 ALDH1A1 (0.49) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL31254041 0.88 ALDH1A1 (0.49) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL26086348 0.86 MAPT (0.51) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL17010398 0.85 MAPT (0.52) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL607025 0.84 MAPT (0.67) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL34473705 0.82 ATM (0.55) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL6520 0.82 TDP1 (0.58) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL29445159 0.82 TDP1 (0.58) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL2986961 0.81 MAPT (0.48) TDP1ALDH1A1MAPTLMNAHTT
SCHEMBL12210768 0.81 MAPT (0.60) ATMTDP1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104352492-B Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient MSD K.K.公司 2017-12-05 CN disclosed
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 US disclosed
US-5424280-A Aryloxybenzene herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-06-13 US disclosed
EP-0647612-A1 Aryloxybenzene herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-04-12 EP 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 ATM 4212/4885TDP1 2513/4885ALDH1A1 188/4885
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 ATM 2440/4885TDP1 3718/4885ALDH1A1 351/4885

“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.