SCHEMBL2996526

SCHEMBL2996526

COc1ccc(Cn2c(C)c(C(=O)C(=O)NC3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
PLA2G2A P14555 2/20 0.50
MEN1 O00255 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX2 P34913 1/20 0.49
P2RX4 Q99571 1/20 0.47
CNR2 P34972 2/20 0.47
P2RX7 Q99572 2/20 0.47
FAAH O00519 1/20 0.47
CNR1 P21554 1/20 0.47
ABHD6 Q9BV23 1/20 0.47
LMNA P02545 1/20 0.46
PDE6D O43924 1/20 0.46
POLB P06746 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
SCHEMBL3009538 0.95 PLA2G2A (0.53) KMT2APLA2G2AMEN1P2RX4CNR2
SCHEMBL4094014 0.89 TP53 (0.52) KMT2ARAB9ACNR2FAAHPOLB
SCHEMBL3006654 0.88 POLB (0.53) RAB9ASMN1; SMN2CNR2FAAHCNR1
SCHEMBL2991276 0.86 ALDH1A1 (0.57) KMT2APLA2G2AMEN1CNR2FAAH
SCHEMBL3009812 0.84 POLB (0.50) KMT2APLA2G2AMEN1RAB9ANPC1
SCHEMBL4382618 0.83 PLA2G2A (0.49) KMT2APLA2G2AMEN1FAAHLMNA
SCHEMBL2998814 0.83 LMNA (0.51) RAB9ANPC1SMN1; SMN2CNR2FAAH
SCHEMBL4083920 0.81 ALDH1A1 (0.60) KMT2APLA2G2AMEN1FAAHLMNA
SCHEMBL4089843 0.79 MAPT (0.47) KMT2AMEN1RAB9ASMN1; SMN2CNR2
SCHEMBL4083893 0.79 CNR2 (0.50) KMT2AMEN1RAB9ACNR2FAAH

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 KMT2A 2233/4885PLA2G2A 3285/4885MEN1 3970/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 KMT2A 2103/4885PLA2G2A 242/4885MEN1 4573/4885

“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.