SCHEMBL692339

SCHEMBL692339

O=[N+]([O-])c1ccc(OC(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH3A1 P30838 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 1/20 0.41
RAPGEF3 O95398 1/20 0.40
CASP6 P55212 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSPB1 P04792 1/20 0.39
VCAM1 P19320 1/20 0.39
GLA P06280 1/20 0.38
EIF4E P06730 1/20 0.38
ALOX15 P16050 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
SCHEMBL30977610 1.00 ATM (0.55) ATMTDP1ALDH3A1MEN1KMT2A
SCHEMBL4636157 0.85 ATM (0.53) ATMTDP1MEN1KMT2AHTT
SCHEMBL30453750 0.85 ATM (0.53) ATMTDP1MEN1KMT2AHTT
SCHEMBL9714508 0.82 TDP1 (0.50) ATMTDP1MEN1KMT2AHTT
SCHEMBL17786752 0.82 ATM (0.62) ATMTDP1MEN1KMT2AHTT
SCHEMBL6826580 0.81 MAPT (0.52) ALDH3A1MEN1KMT2AHTTMAPT
SCHEMBL30720021 0.81 GPR35 (0.51) TDP1ALDH3A1MEN1KMT2AHTT
SCHEMBL26808322 0.81 GPR35 (0.51) TDP1ALDH3A1MEN1KMT2AHTT
SCHEMBL19554275 0.81 MAPT (0.58) TDP1ALDH3A1MEN1KMT2AHTT
SCHEMBL6825982 0.80 ALDH3A1 (0.41) ATMTDP1ALDH3A1MEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349963-B Sodium channel blockers 株式会社大熊制药 2021-03-30 CN disclosed
EP-3375782-B1 SODIUM CHANNEL BLOCKER DAE WOONG PHARMA (KR) 2020-07-29 EP disclosed
US-10227338-B2 Substituted benzenesulfonamides as sodium channel blockers DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-03-12 US disclosed
US-20180346459-A1 SODIUM CHANNEL BLOCKER IN THERAPEUTICS (KR) 2018-12-06 US disclosed
EP-3375782-A1 SODIUM CHANNEL BLOCKER Daewoong Pharmaceutical Co., Ltd. (KR) 2018-09-19 EP disclosed
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP disclosed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 US disclosed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (6 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-10227338-B2 Substituted benzenesulfonamides as sodium channel blockers HCN4, SCN1B, HCN3 ATM 4681/4885TDP1 4104/4885ALDH3A1 2111/4885
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ATM 4084/4885TDP1 1761/4885ALDH3A1 2088/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ATM 4084/4885TDP1 1761/4885ALDH3A1 2088/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ATM 4084/4885TDP1 1761/4885ALDH3A1 2088/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ATM 4084/4885TDP1 1761/4885ALDH3A1 2088/4885
US-20180346459-A1 SODIUM CHANNEL BLOCKER SCN5A, SCN2B, SCN1B ATM 4761/4885TDP1 4623/4885ALDH3A1 1526/4885

“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.