SCHEMBL962579

SCHEMBL962579

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
MAPK8 P45983 5/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 2/20 0.36
PHGDH O43175 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
OXER1 Q8TDS5 1/20 0.34
CRHR1 P34998 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PIM1 P11309 2/20 0.33
MCHR1 Q99705 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
CLK2 P49760 1/20 0.33
MAP4K2 Q12851 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL964906 0.94 KMT2A (0.42) KMT2ANUDT1BACE1MAPK8MAPK9
SCHEMBL961662 0.89 KMT2A (0.41) KMT2AMAPK8MAPK9MAPK10PHGDH
SCHEMBL961483 0.88 HTR2A (0.37) KMT2AMAPK8MAPK9MAPK10PHGDH
SCHEMBL964487 0.87 HTR2A (0.38) KMT2AMAPK8MAPK9MAPK10PHGDH
SCHEMBL4553742 0.87 MAPK8 (0.37) KMT2AMAPK8MAPK9MAPK10PHGDH
SCHEMBL963044 0.87 OXER1 (0.49) MAPK8OXER1PTGDR2
SCHEMBL968306 0.85 OXER1 (0.45) KMT2AMAPK8MAPK9MAPK10OXER1
SCHEMBL4553497 0.84 MAPK8 (0.38) KMT2AMAPK8MAPK9MAPK10PHGDH
SCHEMBL965282 0.84 HTR2A (0.39) KMT2AMAPK8MAPK9MAPK10PHGDH
SCHEMBL964199 0.84 MAPK8 (0.38) KMT2AMAPK8MAPK9MAPK10PHGDH

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 KMT2A 1809/4885NUDT1 962/4885BACE1 584/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KMT2A 2017/4885NUDT1 1922/4885BACE1 2023/4885

“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.