SCHEMBL4052097

SCHEMBL4052097

COc1ccc2c(c1)cc1n2CCN(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SIGMAR1 Q99720 14/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4055137 0.84 NR1H2 (0.56) HTR2AHTR2CKDM4EALDH1A1SMN1; SMN2
SCHEMBL23725782 0.80 HTR2A (0.50) HTR2AHTR2CSIGMAR1MEN1KMT2A
SCHEMBL26683906 0.80 SIGMAR1 (0.47) SIGMAR1
SCHEMBL4049250 0.79 HTR2A (0.59) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL5380065 0.77 SIGMAR1 (0.64) SIGMAR1
SCHEMBL7888632 0.76 HTR2A (0.53) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL1104004 0.76 HTR2A (0.53) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL13743172 0.76 HTR2C (0.56) HTR2AHTR2CKDM4EALDH1A1HPGD
Fumaric Acid SCHEMBL16197823 0.74 KEAP1 (0.46) HTR2AHTR2CKDM4EALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL16197824 0.74 KEAP1 (0.46) HTR2AHTR2CKDM4EALDH1A1SMN1; SMN2

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
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A HTR2A 780/4885HTR2C 826/4885KDM4E 1263/4885

“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.