SCHEMBL20484689

SCHEMBL20484689

Cc1cccc(N=[N+]=[N-])c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TRPA1 O75762 2/20 0.45
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
MPI P34949 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HSP90AA1 P07900 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP2C9 P11712 2/20 0.33
F2R P25116 1/20 0.33

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
SCHEMBL15373349 0.79 TRPA1 (0.38) ALDH1A1TRPA1HPGDMAPTL3MBTL1
SCHEMBL13773364 0.79 TSHR (0.41) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL27951807 0.78 MEN1 (0.35) ALDH1A1ATMKMT2AMEN1HSP90AA1
SCHEMBL16774460 0.76 CYP3A4 (0.43) F2RCYP3A4PTGS2TUBB4ATUBB
SCHEMBL8747532 0.76 ALDH1A1 (0.62) ALDH1A1TRPA1GABRA1GABRB2KDM4E
SCHEMBL22914949 0.76 TRPA1 (0.45) ALDH1A1TRPA1KDM4EHSD17B10HPGD
SCHEMBL28142794 0.76 CD44 (0.45) ALDH1A1POLBL3MBTL1KMT2AMEN1
SCHEMBL14217217 0.76 CYP1A2 (0.52) ALDH1A1HSD17B10HPGDL3MBTL1F2R
SCHEMBL13808092 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL27469034 0.76 ALDH1A1 (0.33) ALDH1A1F2RTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3369726-B1 METHOD FOR PRODUCING 2-AMINO-4-SUBSTITUTED PHENOL SUMITOMO CHEMICAL CO (JP) 2020-08-26 EP disclosed
CN-108349884-B Process for producing 2-amino-4-substituted phenol 住友化学株式会社 2020-04-21 CN disclosed
US-10093617-B1 Method for producing 2-amino-4-substituted phenol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-09 US disclosed
US-20180282267-A1 METHOD FOR PRODUCING 2-AMINO-4-SUBSTITUTED PHENOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-04 US disclosed
EP-3369726-A1 METHOD FOR PRODUCING 2-AMINO-4-SUBSTITUTED PHENOL Sumitomo Chemical Company, Limited (JP) 2018-09-05 EP disclosed
CN-108349884-A Process for producing 2-amino-4-substituted phenol 住友化学株式会社 2018-07-31 CN 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 (2 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-10093617-B1 Method for producing 2-amino-4-substituted phenol PAH, ASNS, AVPR2 ALDH1A1 297/4885TRPA1 962/4885GABRA1 2665/4885
US-20180282267-A1 METHOD FOR PRODUCING 2-AMINO-4-SUBSTITUTED PHENOL PAH, ASNS, AVPR2 ALDH1A1 297/4885TRPA1 962/4885GABRA1 2665/4885

“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.