SCHEMBL18331069

SCHEMBL18331069

O=C(O)c1cc(NNc2ccc(O)c(C(=O)O)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
PTGS2 P35354 2/20 0.59
CA12 O43570 1/20 0.59
ALOX5 P09917 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
ALDH1A1 P00352 3/20 0.56
KDM4C Q9H3R0 3/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
NOX4 Q9NPH5 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LCK P06239 2/20 0.56
RGS12 O14924 1/20 0.56
EGFR P00533 1/20 0.56
CAMKK2 Q96RR4 1/20 0.56
MEN1 O00255 2/20 0.55
KDR P35968 2/20 0.55

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
SCHEMBL11567922 0.92 PTPN1 (0.54) CA1CA2PTGS2CA12ALOX5
SCHEMBL2130340 0.87 CA1 (0.59) CA1CA2PTGS2CA12ALOX5
SCHEMBL16221624 0.85 MCL1 (0.71) ALDH1A1KDM4CMAPTTDP1LCK
SCHEMBL12041031 0.83 EPHX2 (0.61) CA1CA2PTGS2CA12ALOX5
SCHEMBL19502707 0.83 KDM4C (0.57) CA1CA2PTGS2CA12ALOX5
SCHEMBL14544298 0.83 TDP1 (0.65) CA1CA2PTGS2CA12ALOX5
SCHEMBL727904 0.83 KDM4C (0.57) CA1CA2PTGS2CA12ALOX5
SCHEMBL28927837 0.83 KDM4C (0.57) CA1CA2PTGS2CA12ALOX5
SCHEMBL26219070 0.82 ALDH1A1 (0.50) CA1CA2PTGS2CA12ALOX5
Hydrochloric Acid SCHEMBL17363048 0.82 TDP1 (0.62) CA1CA2PTGS2CA12ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150951-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM PHARMA SA (CH) 2023-05-18 US disclosed
WO-2016205806-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-12-22 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-20230150951-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS HRH4, NCOA4, HRH3 CA1 2578/4885CA2 2430/4885PTGS2 433/4885

“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.