SCHEMBL9312899

SCHEMBL9312899

O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
VCAM1 P19320 1/20 0.45
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 3/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 3/20 0.40
HIF1A Q16665 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 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
SCHEMBL816365 0.95 CYP19A1 (0.48) CYP19A1LMNATSHRVCAM1CYP3A4
SCHEMBL15545359 0.87 CYP19A1 (0.41) CYP19A1LMNATSHRVCAM1CYP3A4
SCHEMBL15544726 0.86 CYP19A1 (0.40) CYP19A1LMNATSHRVCAM1CYP3A4
SCHEMBL6863360 0.84 ALDH1A1 (0.46) CYP19A1TSHRCYP3A4ALDH1A1HIF1A
SCHEMBL28967021 0.82 XDH (0.39) CYP19A1LMNATSHRVCAM1ALDH1A1
SCHEMBL28967049 0.82 CYP3A4 (0.47) CYP19A1LMNATSHRCYP3A4SMN1; SMN2
SCHEMBL29985009 0.81 TP53 (0.50) LMNATSHRCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL14793406 0.81 TSHR (0.37) CYP19A1LMNATSHRCYP3A4SMN1; SMN2
SCHEMBL1169028 0.81 TP53 (0.50) LMNATSHRCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL212845 0.79 CYP19A1 (0.81) CYP19A1LMNATSHRVCAM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US claimed
US-20160096852-A1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and Analogs UNIVERSITY OF NORTH FLORIDA (US) 2016-04-07 US disclosed
US-9284336-B1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs UNIVERSITY OF NORTH FLORIDA (US) 2016-03-15 US disclosed
US-9238660-B1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs and their application for the preparation of SF5-aromatics UNIVERSITY OF NORTH FLORIDA (US) 2016-01-19 US disclosed
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US disclosed
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US disclosed
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US disclosed
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates UBE INDUSTRIES, LTD. (JP) 2011-12-08 US disclosed
US-5302692-A High glass transition temperature, low dielectric properties THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINSTRATION (US) 1994-04-12 US disclosed
US-5220070-A 1,3-diamino-5-pentafluorosulfanylbenzene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-06-15 US disclosed
US-5220070-A 1,3-diamino-5-pentafluorosulfanylbenzene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-06-15 US 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-20160096852-A1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and Analogs HCK, NEK5, SIK2 CYP19A1 4438/4885LMNA 4811/4885TSHR 1493/4885
US-20110301382-A1 Processes for Preparing 1,3-Dinitro-5-(Pentafluorosulfanyl)Benzene and its Intermediates DPYD, FDPS, BLVRB CYP19A1 2203/4885LMNA 3222/4885TSHR 3083/4885

“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.