SCHEMBL12359455

SCHEMBL12359455

Cc1ccc(NC(=O)CCc2ccc3ccccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
HCAR2 Q8TDS4 1/20 0.55
CYP1A2 P05177 2/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.53
TOP2A P11388 1/20 0.53
TOP2B Q02880 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
FFAR1 O14842 1/20 0.51

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
SCHEMBL13451637 0.86 NR1H4 (0.74) NR1H4RAB9ANPC1KMT2ALMNA
SCHEMBL1996378 0.85 HCAR2 (0.60) NR1H4HCAR2CYP1A2RAB9ANPC1
SCHEMBL1998419 0.84 NAMPT (0.64) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL13389060 0.82 MAPT (0.77) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL1471759 0.82 MAPT (0.77) CYP1A2RAB9ANPC1KMT2ALMNA
SCHEMBL28549583 0.80 CYP1A2 (0.72) CYP1A2RAB9ANPC1KMT2ALMNA
SCHEMBL6172461 0.79 HDAC1 (0.57) HCAR2CYP1A2CYP2C19HIF1AFFAR1
SCHEMBL30964183 0.78 MAPT (0.74) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL22500726 0.78 MAPT (0.74) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL13776958 0.78 HDAC2 (0.59) CYP1A2RAB9AKMT2ASMN1; SMN2TOP2A

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-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 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-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A NR1H4 1241/4885HCAR2 4079/4885CYP1A2 4794/4885

“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.