SCHEMBL4118461

SCHEMBL4118461

COc1cccc(C(=O)c2cc(Cl)ccc2-n2c(CO)nc(C)c2C)c1OC.COc1cccc(C(=O)c2cc(Cl)ccc2-n2cnc(C)c2C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CBX7 O95931 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL4122385 0.92 HCRTR1 (0.38) PTGS1HCRTR1HCRTR2CBX7ALDH1A1
SCHEMBL13775799 0.89 ALDH1A1 (0.40) HCRTR1HCRTR2ALDH1A1KDM4ENPC1
SCHEMBL4121992 0.79 NR1I2 (0.41) CBX7ALDH1A1KDM4ENPC1LMNA
SCHEMBL4111361 0.78 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1KDM4ENPC1
SCHEMBL13775802 0.77 KMT2A (0.40) HCRTR1HCRTR2ALDH1A1KDM4ENPC1
SCHEMBL4125269 0.74 NR1I2 (0.39) KMT2A
SCHEMBL4118375 0.73 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1KDM4ENPC1
SCHEMBL4110971 0.73 KMT2A (0.33) HCRTR1HCRTR2ALDH1A1KDM4ENPC1
SCHEMBL4122687 0.70 L3MBTL1 (0.44) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL4120170 0.70 RORB (0.39) ALDH1A1KDM4ENPC1LMNARAB9A

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR PTGS1 254/4885HCRTR1 1006/4885HCRTR2 2126/4885

“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.