SCHEMBL786832

SCHEMBL786832

NCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
THRB P10828 1/20 0.59
GPR35 Q9HC97 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTSB P07858 1/20 0.54
ERN1 O75460 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
NOX4 Q9NPH5 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
APP P05067 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 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
Hydrochloric Acid SCHEMBL9501431 0.98 GAA (0.58) GAATHRBGPR35ALDH1A1TP53
SCHEMBL8709893 0.86 THRB (0.56) GAATHRBGPR35ALDH1A1TP53
SCHEMBL6691566 0.85 GPR35 (0.56) GAATHRBGPR35ALDH1A1TP53
SCHEMBL51277 0.85 GPR35 (0.60) GAATHRBGPR35ALDH1A1TP53
SCHEMBL4231830 0.83 ALDH1A1 (0.58) GAATHRBGPR35ALDH1A1TP53
SCHEMBL216753 0.83 GPR35 (0.58) GAATHRBGPR35ALDH1A1TP53
SCHEMBL2062221 0.82 LOXL2 (0.55) GAATHRBALDH1A1TSHRLOXL2
SCHEMBL8012475 0.82 GAA (0.56) GAATHRBGPR35ALDH1A1TP53
SCHEMBL786831 0.81 ALDH1A1 (0.56) GAATHRBGPR35ALDH1A1TP53
Hydrochloric Acid SCHEMBL22773531 0.81 GPR35 (0.56) GAATHRBGPR35ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US disclosed
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 US disclosed
EP-0946561-A1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS Astra Pharmaceuticals Limited (GB) 1999-10-06 EP disclosed
WO-1998028300-A1 TRIAZOLO[4,5-D]PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRA PHARMACEUTICALS LTD. (GB) 1998-07-02 WO disclosed
EP-0226072-B1 OXIDATION DYE CONTAINING 4-AMINO-2-AMINOMETHYL PHENOL Wella Aktiengesellschaft (DE) 1991-04-10 EP disclosed
US-4797130-A DYE DEVELOPERS GOOD FOR RED COLORING WELLA AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0226072-A1 Oxidation dye containing 4-amino-2-aminomethyl phenol Wella Aktiengesellschaft (DE) 1987-06-24 EP disclosed
WO-1987003475-A2 OXIDIZING HAIR DYER BASED ON 4-AMINO-2-AMINOMETHYLPHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1987-06-18 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 (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-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives CDK6, CCNI, CDK2 GAA 2154/4885THRB 4433/4885GPR35 1867/4885

“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.