SCHEMBL996297

SCHEMBL996297

O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cccn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
MAPT P10636 9/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 4/20 0.50
HTT P42858 1/20 0.50
MDM2 Q00987 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL27737279 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8810711 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL30949568 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16371393 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30949495 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL17743398 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL29127005 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL22636765 0.78 GAA (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL995959 0.77 GAA (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12750055 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-11-03 US disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 EP disclosed
EP-3800183-A1 UREA DERIVATIVES AS TRK-INHIBITING COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2021-04-07 EP disclosed
EP-3459935-B1 UREA DERIVATIVE AS TRK-INHIBITING COMPOUND ONO PHARMACEUTICAL CO (JP) 2020-12-23 EP disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 WO disclosed
US-10765676-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2020-09-08 US disclosed
US-20190231777-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2019-08-01 US disclosed
US-10300060-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
CN-101273038-A Macrocylic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2008-09-24 CN disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
EP-1910347-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2008-04-16 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 ALDH1A1 2532/4885KDM4E 4409/4885MEN1 3400/4885
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 ALDH1A1 1477/4885KDM4E 1036/4885MEN1 3762/4885
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS ERAP1, CHP1, QSOX1 ALDH1A1 1546/4885KDM4E 1040/4885MEN1 4235/4885
US-10300060-B2 Trk-inhibiting compound LTK, ROR1, TRPV1 ALDH1A1 2491/4885KDM4E 2556/4885MEN1 4258/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 ALDH1A1 1431/4885KDM4E 1035/4885MEN1 3904/4885
US-20190231777-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TRPV1 ALDH1A1 2491/4885KDM4E 2556/4885MEN1 4258/4885
US-10765676-B2 Trk-inhibiting compound LTK, ROR1, TRPV1 ALDH1A1 2491/4885KDM4E 2556/4885MEN1 4258/4885

“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.