SCHEMBL3009538

SCHEMBL3009538

COc1ccc(Cn2c(C)c(C(=O)C(=O)NC3CC3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.53
P2RX4 Q99571 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
POLB P06746 1/20 0.48
DRD4 P21917 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PLA2G1B P04054 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2996526 0.95 KMT2A (0.51) PLA2G2AP2RX4CNR1CNR2POLB
SCHEMBL3009812 0.89 POLB (0.50) PLA2G2ACNR2POLBALDH1A1GAA
SCHEMBL2998814 0.88 LMNA (0.51) CNR1CNR2POLBMAPTPKM
SCHEMBL4083920 0.85 ALDH1A1 (0.60) PLA2G2APLA2G1BALDH1A1MAPTPKM
SCHEMBL4094014 0.84 TP53 (0.52) CNR2POLBMAPTKMT2A
SCHEMBL3006654 0.83 POLB (0.53) CNR1CNR2POLB
SCHEMBL2991276 0.81 ALDH1A1 (0.57) PLA2G2ACNR2PLA2G1BALDH1A1MAPT
SCHEMBL4382618 0.79 PLA2G2A (0.49) PLA2G2APOLBPLA2G1BALDH1A1MAPT
SCHEMBL4088809 0.78 LMNA (0.47) CNR2POLBSIGMAR1ALDH1A1MAPT
SCHEMBL4083374 0.78 FAAH (0.52) PLA2G2ACNR2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US claimed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PLA2G2A 3285/4885P2RX4 365/4885CNR1 41/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G2A 242/4885P2RX4 284/4885CNR1 6/4885

“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.