SCHEMBL10000196

SCHEMBL10000196

c1cc(Nc2ccc(Oc3ccc(Nc4ccncc4)cc3)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.58
SCN9A Q15858 8/20 0.54
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 5/20 0.46
SCN5A Q14524 4/20 0.46
CTSD P07339 1/20 0.46
FES P07332 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
SCHEMBL30046984 0.92 KDR (0.54) RAD52SCN9ATDP1MAPK1L3MBTL1
SCHEMBL7330497 0.82 RAB9A (0.74) RAD52ADRA2AADRA2BADRA2CTDP1
SCHEMBL725063 0.82 RAD52 (0.70) RAD52ADRA2AADRA2BADRA2CTDP1
SCHEMBL23999634 0.80 POLB (0.68) KDM4ENPC1GAAMAPTMAPK1
SCHEMBL13648103 0.77 SCN9A (0.51) RAD52SCN9AADRA2AADRA2BADRA2C
SCHEMBL171930 0.77 SCN9A (0.47) SCN9AADRA2AADRA2BADRA2CTDP1
SCHEMBL12218044 0.77 RAD52 (0.48) RAD52SCN9ATDP1KDM4ENPC1
SCHEMBL8540552 0.76 LMNA (0.47) SCN9ATDP1MAPTMAPK1CTSD
Hydrochloric Acid SCHEMBL28541310 0.76 SCN9A (0.50) RAD52SCN9AADRA2AADRA2BADRA2C
SCHEMBL13308524 0.75 ALDH1A1 (0.68) SCN9ATDP1KDM4ENPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
US-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 US disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 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-20120165365-A1 Compositions and Methods for Treating Cancer MKI67, DCX, NES RAD52 839/4885SCN9A 3381/4885ADRA2A 2934/4885

“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.