SCHEMBL8235996

SCHEMBL8235996

CCc1c(C(=O)NNc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PLA2G2A P14555 9/20 0.59
MAPT P10636 3/20 0.56
PKM P14618 3/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
S1PR3 Q99500 2/20 0.47
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL290764 0.85 PLA2G2A (0.67) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL14880137 0.84 MAPT (0.74) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL337321 0.81 PLA2G2A (0.60) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL289723 0.81 S1PR3 (0.59) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL8233873 0.79 PLA2G2A (0.60) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL10104000 0.79 S1PR3 (0.75) PLA2G2AS1PR3
SCHEMBL2004115 0.79 PLA2G2A (0.59) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL2008014 0.78 PLA2G2A (0.58) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL805632 0.78 MAPT (0.59) MEN1KMT2APLA2G2AMAPTPKM
SCHEMBL8236455 0.78 PLA2G2A (0.61) MEN1KMT2APLA2G2AMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 WO 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-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist S1PR1, S1PR2, S1PR3 MEN1 3212/4885KMT2A 4465/4885PLA2G2A 630/4885

“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.