SCHEMBL969312

SCHEMBL969312

N#Cc1c(OC(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
HSPB1 P04792 1/20 0.38
HPGD P15428 2/20 0.37
GPR35 Q9HC97 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PIN1 Q13526 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
TSHR P16473 1/20 0.34
PTPRC P08575 1/20 0.34
S100A4 P26447 1/20 0.34

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
SCHEMBL2418024 0.85 TDP1 (0.45) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2417192 0.82 ALDH1A1 (0.41) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2416690 0.80 ALDH1A1 (0.40) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2420518 0.80 ALDH1A1 (0.40) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL8009725 0.80 KCNN4 (0.37) ALDH1A1TDP1RAB9ANPC1MEN1
SCHEMBL2416277 0.80 ALDH1A1 (0.61) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL1424469 0.79 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL27784317 0.78 ALDH1A1 (0.42) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL618153 0.78 TDP1 (0.54) ALDH1A1TDP1RAB9AHPGDGPR35
SCHEMBL12480460 0.78 HSPB1 (0.45) ALDH1A1TDP1RAB9ANPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174668-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNATIONAL GMBH (DE) 2017-06-22 US disclosed
WO-2015082324-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-11 WO disclosed
CN-103467411-A 2-cyanobenzensulfonamide derivatives having pesticidal properties SYNGENTA PARTICIPATIONS AG 2013-12-25 CN disclosed
US-8524896-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-8524896-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
EP-2500340-A1 2-Cyanophenyl Sulfonamide Derivatives Useful as Pesticides Syngenta Participations AG. (CH) 2012-09-19 EP disclosed
CN-101965332-A 2-cyanobenzenesulfonamide derivatives having pesticidal properties SYNGENTA CROP PROT INC 2011-02-02 CN disclosed
US-20110009261-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-13 US disclosed
US-20110009261-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-13 US disclosed
EP-2265579-A2 2-CYANOBENZENSULFONAMIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2010-12-29 EP disclosed
US-20100311582-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
US-20100311582-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
EP-2231632-A2 2-CYANOPHENYL SULFONAMIDE DERIVATIVES USEFUL AS PESTICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009109539-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-09-11 WO disclosed
WO-2009092590-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-30 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 (3 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-20110009261-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CYCS ALDH1A1 3381/4885TDP1 3742/4885RAB9A 445/4885
US-20170174668-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS NEK5, NEK2, SIK2 ALDH1A1 3383/4885TDP1 2717/4885RAB9A 1332/4885
US-20100311582-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CCNY ALDH1A1 3581/4885TDP1 4036/4885RAB9A 1093/4885

“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.