SCHEMBL5375896

SCHEMBL5375896

O=C(O)n1c2c(c3ccc(F)cc31)CCNC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.41
PARP1 P09874 1/20 0.41
MCHR1 Q99705 6/20 0.39
F12 P00748 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP3A4 P08684 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL5376117 0.90 PTGS1 (0.42) HTR6PARP1F12MAPKAPK2CYP3A4
SCHEMBL5376849 0.84 MCHR1 (0.47) HTR6MCHR1MAPKAPK2HDAC1HDAC6
SCHEMBL5376877 0.84 MCHR1 (0.50) HTR6MCHR1HDAC1HDAC6
SCHEMBL5373439 0.81 HTR6 (0.58) HTR6HDAC1HDAC6PTGS1PTGS2
SCHEMBL16610030 0.78 MCHR1 (0.51) MCHR1CYP3A4
SCHEMBL5372839 0.77 PTGS1 (0.42) HTR6MCHR1MAPKAPK2HDAC1HDAC6
Hydrochloric Acid SCHEMBL17940522 0.77 KDM4E (0.51) MCHR1CYP3A4
SCHEMBL5376070 0.76 HTR2A (0.44) HTR6MCHR1MAPKAPK2HDAC1HDAC6
SCHEMBL5367869 0.76 MCHR1 (0.45) HTR6MCHR1PTGS1PTGS2
SCHEMBL25685286 0.75 PARP1 (0.42) HTR6PARP1MCHR1F12CYP3A4

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-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 HTR6 2138/4885PARP1 931/4885MCHR1 4604/4885

“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.