SCHEMBL3222987

SCHEMBL3222987

O=C1c2cccc(O)c2OC1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAPT P10636 4/20 0.39
MAOB P27338 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TYR P14679 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
RECQL P46063 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
IDO1 P14902 2/20 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
SCHEMBL19807346 0.71 MAOA (0.42) MAOAMAPTMAOBALDH1A1HPGD
SCHEMBL69727 0.69 RET (0.53) MAPTMAOBALDH1A1MAPK1HSD17B10
SCHEMBL4320359 0.69 TTR (0.42) MAOAMAPTMAOBALDH1A1HPGD
SCHEMBL130267 0.66 CYP19A1 (0.59) MAOAMAPTMAOBMAPK1HSD17B10
SCHEMBL9205670 0.66 CYP19A1 (0.59) MAOAMAPTMAOBMAPK1HSD17B10
SCHEMBL18196555 0.66 ATM (0.37) MAOAMAPTMAOBALDH1A1HPGD
SCHEMBL6836952 0.64 MAOA (0.46) MAOAMAPTMAOBALDH1A1HPGD
SCHEMBL13808564 0.64 PTPRF (0.47) MAOAMAPTMAOBALDH1A1HPGD
SCHEMBL9389657 0.64 MAOA (0.54) MAOAMAPTMAOBALDH1A1HPGD
SCHEMBL23707669 0.63 CES2 (0.50) MAOAMAPTMAOBALDH1A1HPGD

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
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
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 (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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 MAOA 970/4885MAPT 1103/4885MAOB 979/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR MAOA 1887/4885MAPT 1393/4885MAOB 991/4885

“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.