SCHEMBL7031408

SCHEMBL7031408

CNC(=O)c1cc(C(C)(C)c2cc(C(=O)NC)c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.68
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
P2RX1 P51575 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 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
SCHEMBL69563 0.82 GPR35 (1.00) GPR35ALDH1A1MAPK1HTTMAPT
SCHEMBL7021997 0.77 GPR35 (0.60) GPR35ALDH1A1NPC1RAB9AMAPT
SCHEMBL29858737 0.75 GPR35 (0.53) GPR35ALDH1A1MAPK1NPC1RAB9A
SCHEMBL7123712 0.74 GPR35 (0.77) GPR35ALDH1A1MAPK1MAPTMEN1
SCHEMBL7028676 0.73 GPR35 (0.74) GPR35ALDH1A1MAPK1HTTMAPT
SCHEMBL12260755 0.73 CRHBP (0.62) GPR35SLC6A2SLC6A4SLC6A3P2RX1
SCHEMBL7024419 0.72 GPR35 (0.72) GPR35ALDH1A1RAB9AMAPTMEN1
SCHEMBL7021569 0.72 GPR35 (0.72) GPR35ALDH1A1MAPK1GLAHTT
SCHEMBL28536991 0.72 FLT1 (0.60) SLC6A2SLC6A4SLC6A3P2RX1ALDH1A1
SCHEMBL11288408 0.72 GPR35 (0.53) GPR35P2RX1ALDH1A1MAPK1NPC1

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 GPR35 3425/4885SLC6A2 1768/4885SLC6A4 758/4885

“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.