SCHEMBL5009727

SCHEMBL5009727

CCCCCCN([C]=O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
HTR1D P28221 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5010596 0.98 HTR1B (0.41) HTR1BSIGMAR1HTR1DALDH1A1CNR1
SCHEMBL5010705 0.94 HTR1B (0.46) HTR1BSIGMAR1HTR1DALDH1A1KMT2A
SCHEMBL5012205 0.89 SIGMAR1 (0.42) HTR1BSIGMAR1HTR1DALDH1A1KMT2A
SCHEMBL2338566 0.82 SIGMAR1 (0.47) SIGMAR1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL28680127 0.81 HTR1B (0.44) HTR1BSIGMAR1HTR1DALDH1A1KDM4E
SCHEMBL28159089 0.81 HTR1B (0.44) HTR1BSIGMAR1HTR1DALDH1A1KDM4E
SCHEMBL27875483 0.81 HTR1B (0.44) HTR1BSIGMAR1HTR1DALDH1A1KDM4E
SCHEMBL28753645 0.80 HTR1B (0.47) HTR1BSIGMAR1HTR1DALDH1A1KDM4E
SCHEMBL10490426 0.80 HTR1B (0.47) HTR1BSIGMAR1HTR1DALDH1A1KDM4E
SCHEMBL10490532 0.80 SIGMAR1 (0.46) HTR1BSIGMAR1HTR1DALDH1A1KDM4E

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL HTR1B 4003/4885SIGMAR1 1156/4885HTR1D 4198/4885

“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.