SCHEMBL7030693

SCHEMBL7030693

O=[N+]([O-])c1cc(-c2cc(F)c(O)c([N+](=O)[O-])c2)cc(F)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
GPR35 Q9HC97 4/20 0.52
TTR P02766 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
RECQL P46063 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL10885499 0.84 CRHBP (0.76) CRHBPCRHR2GPR35TTRKDM4E
SCHEMBL2078816 0.83 TTR (0.57) CRHBPCRHR2GPR35TTRKDM4E
SCHEMBL429752 0.82 GPR35 (0.71) GPR35TTRKDM4EMEN1ALDH1A1
SCHEMBL11740610 0.80 GPR35 (0.48) GPR35TTRKDM4EMEN1ALDH1A1
SCHEMBL29674743 0.80 ERN1 (0.59) GPR35TTRKDM4EMEN1ALDH1A1
SCHEMBL1943304 0.80 GPR35 (0.74) GPR35TTRKDM4EMEN1ALDH1A1
SCHEMBL752254 0.80 ERN1 (0.59) GPR35TTRKDM4EMEN1ALDH1A1
SCHEMBL18304977 0.80 TTR (0.54) GPR35TTRKDM4EMEN1ALDH1A1
SCHEMBL8229963 0.79 ERN1 (0.67) CRHBPCRHR2GPR35TTRKDM4E
SCHEMBL7026296 0.79 TTR (0.47) GPR35TTRKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608233-B2 Nitrating a bis(4-hydroxyphenyl) bonded to each other or through an electron-donating bridging group, sulfoxide, sulfone or carbonyl group using nitric acid in a solvent and free from other acids NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-08-19 US disclosed
US-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-03-20 US disclosed
EP-1277727-A1 PROCESS FOR PRODUCING BIS(4-HYDROXY-3-NITROPHENYL) COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2003-01-22 EP 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 (1 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-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NOS3, NOS2, NOS1 CRHBP 3061/4885CRHR2 4709/4885GPR35 3425/4885

“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.