SCHEMBL975289

SCHEMBL975289

C=CCN(CCC)S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA1 P00915 2/20 0.35
SCN9A Q15858 3/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33

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
SCHEMBL974812 0.84 SCN9A (0.36) HTTPOLBAPEX1CA12CA9
SCHEMBL977040 0.80 SCN9A (0.34) HTTPOLBAPEX1SCN9ACYP2C19
SCHEMBL973560 0.79 SCN9A (0.34) HTTSMN1; SMN2POLBAPEX1SCN9A
SCHEMBL3059734 0.78 SCN9A (0.43) NPC1RAB9ALMNAMAPTHTT
SCHEMBL975290 0.78 VCAM1 (0.36) VCAM1ALDH1A1NPC1RAB9ALMNA
SCHEMBL17548880 0.73 NPC1 (0.47) VCAM1ALDH1A1NPC1RAB9AMAPT
SCHEMBL10515182 0.70 POLB (0.49) NPC1RAB9ALMNAMAPTHTT
SCHEMBL8878229 0.67 POLB (0.52) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL6586312 0.66 CA12 (0.46) VCAM1ALDH1A1NPC1RAB9ALMNA
SCHEMBL31468684 0.66 CA12 (0.46) VCAM1ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537829-B1 Aminobenzoylsulfonamides and their preparation BASF SE (DE) 2016-03-02 EP disclosed
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
EP-2537829-A1 Aminobenzoylsulfamides and their preparation BASF SE (DE) 2012-12-26 EP disclosed
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
EP-1560810-B1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-08-01 EP disclosed
US-8232421-B2 Bifunctional phenyl ISO (THIO) cyanates, processes and intermediates for their preparation BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7820846-B2 by phosgenation of an aminobenzoylsulfamic acid amide intermediate; prepared from a p-nitrobenzoyl chloride or benzoate and a sulfamic acid amide and reducing the nitrobenzoylsulfamic acid amide; isocyanates are crop protection agents BASF AKTIENGESELLSCHAFT (DE) 2010-10-26 US disclosed
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
EP-1560810-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-08-10 EP disclosed
WO-2004039768-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 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 (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-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION TST, IDO1, TMT1A VCAM1 4606/4885ALDH1A1 1128/4885NPC1 3001/4885
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION TST, IDO1, IDO2 VCAM1 4654/4885ALDH1A1 1440/4885NPC1 3351/4885
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation TST, TMT1A, IDO1 VCAM1 4675/4885ALDH1A1 1282/4885NPC1 3052/4885

“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.