SCHEMBL8236455

SCHEMBL8236455

CCc1c(NC(=O)c2ccccc2)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.61
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 1/20 0.47
S1PR3 Q99500 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL337321 0.90 PLA2G2A (0.60) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL8233873 0.85 PLA2G2A (0.60) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL290764 0.80 PLA2G2A (0.67) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL14880137 0.79 MAPT (0.74) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL336668 0.79 PLA2G2A (0.57) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL8236469 0.78 PLA2G2A (0.56) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL8235996 0.78 MEN1 (0.62) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL2001954 0.78 PLA2G2A (0.83) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL27768455 0.76 PLA2G2A (0.62) PLA2G2AMEN1KMT2AGAAMAPT
SCHEMBL7961676 0.76 PLA2G2A (1.00) PLA2G2A

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-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
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 PLA2G2A 630/4885MEN1 3212/4885KMT2A 4465/4885

“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.