SCHEMBL4122385

SCHEMBL4122385

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.36
GAA P10253 2/20 0.36
CBX7 O95931 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36

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
SCHEMBL4118461 0.92 PTGS1 (0.36) HCRTR1HCRTR2ALDH1A1NPSR1KDM4E
SCHEMBL4111361 0.85 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1NPSR1KDM4E
SCHEMBL4121992 0.80 NR1I2 (0.41) ALDH1A1NPSR1KDM4ENPC1LMNA
SCHEMBL4118375 0.79 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1NPSR1KDM4E
SCHEMBL13775799 0.78 ALDH1A1 (0.40) HCRTR1HCRTR2ALDH1A1NPSR1KDM4E
SCHEMBL4122687 0.76 L3MBTL1 (0.44) ALDH1A1NPSR1KDM4ENPC1LMNA
SCHEMBL4112572 0.76 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1NPSR1KDM4E
SCHEMBL4118412 0.76 HPGD (0.41) HCRTR1HCRTR2ALDH1A1NPSR1KDM4E
SCHEMBL13775493 0.73 L3MBTL1 (0.37) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
SCHEMBL4125269 0.73 NR1I2 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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 HCRTR1 1006/4885HCRTR2 2126/4885ALDH1A1 1587/4885

“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.