SCHEMBL399328

SCHEMBL399328

CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 4/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
HKDC1 Q2TB90 1/20 0.48
SLC6A4 P31645 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL28114927 0.87 HPGD (0.52) ALDH1A1MAPK1TSHRSMN1; SMN2KMT2A
SCHEMBL10789111 0.82 TDP1 (0.73) ALDH1A1MAPK1TSHRSMN1; SMN2KMT2A
SCHEMBL3729240 0.82 TSHR (0.55) ALDH1A1TSHRKMT2AHPGDMEN1
SCHEMBL1857955 0.82 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2KMT2AHPGD
SCHEMBL339922 0.81 ALDH1A1 (0.57) ALDH1A1MAPK1TSHRSMN1; SMN2KMT2A
SCHEMBL12562300 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL401641 0.81 KMT2A (0.50) ALDH1A1TSHRSMN1; SMN2KMT2AHPGD
SCHEMBL5508386 0.81 ATM (0.51) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL16956717 0.80 TSHR (0.58) ALDH1A1MAPK1TSHRSMN1; SMN2KMT2A
SCHEMBL40329 0.80 ALDH1A1 (0.59) ALDH1A1MAPK1TSHRSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (7 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-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885MAPK1 1864/4885TSHR 516/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885MAPK1 1864/4885TSHR 516/4885
US-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP ALDH1A1 564/4885MAPK1 851/4885TSHR 621/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885MAPK1 1864/4885TSHR 516/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB ALDH1A1 885/4885MAPK1 2653/4885TSHR 3186/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885MAPK1 1758/4885TSHR 411/4885
US-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA ALDH1A1 421/4885MAPK1 1040/4885TSHR 1411/4885

“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.