SCHEMBL5009728

SCHEMBL5009728

CCCCCCN(C=O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
CHAT P28329 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL5010601 0.98 HTR1B (0.41) HTR1BGAATDP1L3MBTL1HDAC3
SCHEMBL5010711 0.94 HTR1B (0.46) HTR1BGAATDP1L3MBTL1ALDH1A1
SCHEMBL5012208 0.87 SIGMAR1 (0.43) HTR1BGAATDP1L3MBTL1ALDH1A1
SCHEMBL28159089 0.81 HTR1B (0.44) HTR1BGAAALDH1A1KMT2ACHAT
SCHEMBL27875483 0.81 HTR1B (0.44) HTR1BGAAALDH1A1KMT2ACHAT
SCHEMBL28680127 0.81 HTR1B (0.44) HTR1BGAAALDH1A1KMT2ACHAT
SCHEMBL5009898 0.80 SIGMAR1 (0.49) L3MBTL1ALDH1A1KMT2ASIGMAR1MAPT
SCHEMBL10490426 0.80 HTR1B (0.47) HTR1BGAAALDH1A1KMT2ASIGMAR1
SCHEMBL28753645 0.80 HTR1B (0.47) HTR1BGAAALDH1A1KMT2ASIGMAR1
SCHEMBL10490532 0.80 SIGMAR1 (0.46) HTR1BGAAALDH1A1KMT2ASIGMAR1

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 4003/4885GAA 53/4885TDP1 2797/4885

“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.