SCHEMBL13775802

SCHEMBL13775802

COc1cccc(C(=O)c2cc(Cl)ccc2-n2cnc(Cl)c2Cl)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
RORC P51449 2/20 0.37
RORB Q92753 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SCN9A Q15858 1/20 0.37
TP53 P04637 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 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
SCHEMBL4110971 0.89 KMT2A (0.33) KMT2AALDH1A1GAAHSD17B10NPC1
SCHEMBL13775799 0.86 ALDH1A1 (0.40) KMT2AALDH1A1GAAHSD17B10NPC1
SCHEMBL4122687 0.80 L3MBTL1 (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4120170 0.80 RORB (0.39) KMT2AALDH1A1GAANPC1RAB9A
SCHEMBL4121992 0.80 NR1I2 (0.41) KMT2AALDH1A1GAANPC1RAB9A
SCHEMBL4123934 0.79 GAA (0.51) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL13775798 0.79 CYP19A1 (0.44) KMT2AALDH1A1GAAHSD17B10DRD2
SCHEMBL4110749 0.78 GAA (0.39) GAA
SCHEMBL4112572 0.78 HCRTR1 (0.37) KMT2AALDH1A1GAAHSD17B10NPC1
SCHEMBL4118461 0.77 PTGS1 (0.36) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2

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 2 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

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 KMT2A 1467/4885ALDH1A1 1587/4885GAA 922/4885

“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.