SCHEMBL4557411

SCHEMBL4557411

C=C1Oc2ccc(-c3ccccc3)c(-c3c[nH]c4ccccc34)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
SIRT2 Q8IXJ6 3/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
IMPDH2 P12268 2/20 0.40
MAPK1 P28482 2/20 0.40
CAMK2D Q13557 2/20 0.40
NR4A2 P43354 1/20 0.40
PRKD3 O94806 1/20 0.40
CCNB2 O95067 1/20 0.40

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
SCHEMBL4557409 0.84 MAPT (0.43) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL4557955 0.84 PIK3CA (0.41) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL4557937 0.84 MAOB (0.41) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL4562750 0.83 CAMKK2 (0.46) PRKD3CCNB2CDK1PIM1CCNB1
SCHEMBL4557945 0.81 CYP1A1 (0.47) MAPTALDH1A1SIRT2PRKCBPRKCA
SCHEMBL4556996 0.80 PTPRC (0.45) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL5797077 0.72 MAPT (0.51) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL4557936 0.72 MAOB (0.41) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA
3-Phenylindole SCHEMBL84056 0.70 IMPDH2 (0.71) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA
3-Phenylindole SCHEMBL29609072 0.70 IMPDH2 (0.71) MAPTSMN1; SMN2NPSR1ALDH1A1LMNA

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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 MAPT 1103/4885SMN1; SMN2 3693/4885NPSR1 1522/4885

“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.