SCHEMBL4907783

SCHEMBL4907783

Cc1c([N+](=O)[O-])cc(C(=O)O)c(C(=O)O)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
DTYMK P23919 1/20 0.44
CDC25B P30305 1/20 0.41
CASP6 P55212 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 2/20 0.40
GPR35 Q9HC97 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR3 P49019 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4907793 1.00 TSHR (0.53) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL4581662 0.86 TSHR (0.53) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL2299143 0.86 TSHR (0.53) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL11760497 0.85 TDP1 (0.51) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL6727081 0.85 TSHR (0.56) TSHRL3MBTL1TDP1DTYMKCDC25B
SCHEMBL28075649 0.84 TSHR (0.45) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL11758012 0.81 TDP1 (0.55) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL11669352 0.79 CA1 (0.53) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL28037252 0.79 TSHR (0.50) TSHRL3MBTL1TDP1CA1CA2
SCHEMBL11756245 0.79 TSHR (0.53) TSHRL3MBTL1TDP1DTYMKCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188680-A1 Process Improvement Using Solubility Characteristics MALLINCKRODT INC. 2008-08-07 US disclosed
EP-1866274-A2 PROCESS IMPROVEMENT USING SOLUBILITY CHARACTERISTICS MALLINCKRODT INC. (US) 2007-12-19 EP disclosed
WO-2006093728-A2 PROCESS IMPROVEMENT USING SOLUBILITY CHARACTERISTICS MALLINCKRODT INC. (US) 2006-09-08 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-20080188680-A1 Process Improvement Using Solubility Characteristics ADH5, ADH1A, ADH1C TSHR 4615/4885L3MBTL1 4419/4885TDP1 2034/4885

“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.