SCHEMBL4295230

SCHEMBL4295230

O=[N+]([O-])c1ccc(NCCCCCCCCCCS)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.55
AR P10275 6/20 0.50
CYP3A4 P08684 2/20 0.50
CES2 O00748 1/20 0.50
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
TBXA2R P21731 1/20 0.50
AADAC P22760 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL28172449 0.85 TMEM97 (0.55) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL3048651 0.84 ALDH1A1 (0.59) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL25191394 0.84 POLB (0.57) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL13789333 0.84 TMEM97 (0.53) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL4172852 0.84 TMEM97 (0.55) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL4175434 0.81 TMEM97 (0.55) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL3061110 0.81 AR (0.58) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL3061128 0.79 AR (0.56) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL5692031 0.79 AR (0.53) TMEM97ARCYP3A4CES2ABCB11
SCHEMBL12932891 0.77 AR (0.60) TMEM97ARCYP3A4CES2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440849-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2013-05-14 US claimed
EP-2051935-B1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE ST MICROELECTRONICS SRL (IT) 2016-09-07 EP disclosed
EP-2051935-B1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE ST MICROELECTRONICS SRL (IT) 2016-09-07 EP disclosed
US-8766006-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2014-07-01 US disclosed
US-8766006-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2014-07-01 US disclosed
US-8766006-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2014-07-01 US disclosed
US-20130224083-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2013-08-29 US disclosed
US-20130224083-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2013-08-29 US disclosed
US-20130224083-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2013-08-29 US disclosed
US-8440849-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2013-05-14 US disclosed
US-8440849-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2013-05-14 US disclosed
US-8440849-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2013-05-14 US disclosed
US-20090191284-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2009-07-30 US disclosed
US-20090191284-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2009-07-30 US disclosed
US-20090191284-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2009-07-30 US disclosed
EP-2051935-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMicroelectronics S.r.l. (IT) 2009-04-29 EP disclosed
WO-2008012845-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.L. (IT) 2008-01-31 WO disclosed
WO-2008012845-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.L. (IT) 2008-01-31 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 (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-20090191284-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE NOS2, NOS1, NOS3 TMEM97 1759/4885AR 3453/4885CYP3A4 358/4885
US-20130224083-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE NOS2, NOS1, NOS3 TMEM97 1630/4885AR 3198/4885CYP3A4 315/4885

“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.