SCHEMBL13637123

SCHEMBL13637123

NCc1ccnc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.46
LOXL2 Q9Y4K0 4/20 0.46
JMJD6 Q6NYC1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LOX P28300 1/20 0.44

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
SCHEMBL24359749 0.87 L3MBTL1 (0.52) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL24414106 0.84 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL8945534 0.82 TDP1 (0.60) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL25591895 0.81 SMN1; SMN2 (0.54) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL18607390 0.81 PKM (0.52) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL8945285 0.81 KDM5A (0.56) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL24360100 0.79 PKM (0.53) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL2706447 0.79 PKM (0.71) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL30711263 0.79 PKM (0.71) TDP1KMT2ASLC6A2SLC6A3NPSR1
SCHEMBL24359928 0.78 PKM (0.49) TDP1KMT2ASLC6A2SLC6A3NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS SHBG, AR, FSHR TDP1 530/4885KMT2A 308/4885SLC6A2 4655/4885

“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.