SCHEMBL17251285

SCHEMBL17251285

O=[N+]([O-])c1c(O)c(O)cc(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41

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
SCHEMBL29344242 0.74 GRIN2D (0.37) GPR35KDM4EMEN1ALDH1A1TTR
SCHEMBL11642626 0.73 CA1 (0.43) GPR35MEN1ALDH1A1TTRKMT2A
SCHEMBL4582714 0.73 GPR35 (0.47) GPR35ALDH1A1HPGDALOX15MAPK1
SCHEMBL28702870 0.73 S100A4 (0.40) GPR35KDM4EMEN1ALDH1A1HPGD
SCHEMBL8224231 0.73 TSHR (0.44) GPR35ALDH1A1CYP1A2CA1CA2
Ammonia Solution, Strong SCHEMBL20190529 0.72 GPR35 (0.46) GPR35MEN1ALDH1A1TTRKMT2A
SCHEMBL17219535 0.72 MAPT (0.36) ALDH1A1CYP1A2MAPTMAPK1HIF1A
SCHEMBL28683122 0.72 S100A4 (0.39) GPR35KDM4EMEN1ALDH1A1HPGD
Potassium SCHEMBL30589383 0.72 S100A4 (0.39) GPR35KDM4EMEN1ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL28932267 0.72 S100A4 (0.39) GPR35KDM4EMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695135-B2 Therapeutic catechols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-04 — — US disclosed
US-9695135-B2 Therapeutic catechols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-04 — — US disclosed
US-20150322022-A1 THERAPEUTIC CATECHOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-11-12 — — US disclosed
US-20150322022-A1 THERAPEUTIC CATECHOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-11-12 — — 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-20150322022-A1 THERAPEUTIC CATECHOLS COMT, SARS1, C5AR1 GPR35 1319/4885KDM4E 457/4885MEN1 1972/4885

“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.

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