SCHEMBL8329477

SCHEMBL8329477

O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.66
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
HPGD P15428 2/20 0.66
MAPK1 P28482 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TTR P02766 1/20 0.66
CYP1A2 P05177 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
ALOX15 P16050 1/20 0.66
ALOX12 P18054 1/20 0.66
RECQL P46063 1/20 0.66
PMP22 Q01453 1/20 0.66
HIF1A Q16665 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
CYP3A4 P08684 1/20 0.63
TP53 P04637 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
SCHEMBL994720 0.87 MEN1 (0.56) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL253750 0.85 GPR35 (0.79) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL8744 0.85 GPR35 (0.79) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL2218625 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL2197458 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL1503376 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL5908864 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL2260890 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL1692116 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL18691159 0.83 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368139-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2024-11-07 US disclosed
CN-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 CN disclosed
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
US-5929094-A NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA MERCK & CO., INC. (US) 1999-07-27 US disclosed
WO-1998017276-A1 HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 WO disclosed
EP-0402486-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROANILINE ANDRIEVSKY, Alexandr Mikhailovich (SU) 1990-12-19 EP disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 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 (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-20240368139-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF EHMT1, EHMT2, SHMT1 GPR35 2394/4885ALDH1A1 163/4885KMT2A 33/4885

“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.