SCHEMBL12808124

SCHEMBL12808124

CCC1c2ccccc2NC1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.38
HTR5A P47898 8/20 0.37
GAA P10253 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRCP P42785 1/20 0.33
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL21887585 0.77 HTR5A (0.40) NOS2HTR5ABRD4CREBBPMEN1
SCHEMBL2666124 0.77 MEN1 (0.40) NOS2HTR5AGAABRD4CREBBP
SCHEMBL1615477 0.75 PRCP (0.35) HTR5AGAACREBBPLMNASMN1; SMN2
SCHEMBL12849286 0.73 MEN1 (0.37) NOS2HTR5AGAABRD4CREBBP
SCHEMBL21898300 0.73 HTR5A (0.41) NOS2HTR5AGAABRD4CREBBP
SCHEMBL7666850 0.73 CREBBP (0.41) NOS2HTR5AGAABRD4CREBBP
SCHEMBL8291311 0.71 HTR5A (0.35) NOS2HTR5ABRD4CREBBPIDO1
SCHEMBL10750650 0.69 HSPA1A (0.38) HTR5ABRD4CREBBPMAPK1IDO1
SCHEMBL25006492 0.69 PRCP (0.32) HTR5AGAAMEN1KMT2APRCP
SCHEMBL22136728 0.69 HTR5A (0.39) NOS2HTR5AGAABRD4CREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-7790714-B2 treating non-insulin dependent diabetes comprising administering a glucagon-like peptide receptor modulators such as (S)-2-({(S)-6-benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid TRANSTECH PHARMA, INC. (US) 2010-09-07 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE NOS2 652/4885HTR5A 3058/4885GAA 278/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ NOS2 671/4885HTR5A 3568/4885GAA 296/4885

“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.