SCHEMBL2998737

SCHEMBL2998737

O=C(NC1CCCC1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CNR2 P34972 5/20 0.46
TP53 P04637 1/20 0.44
EPHX1 P07099 2/20 0.44
GAA P10253 1/20 0.42
CNR1 P21554 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
PPARG P37231 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL3010200 0.99 POLB (0.48) POLBCNR2TP53EPHX1GAA
SCHEMBL3005561 0.98 CNR2 (0.43) POLBCNR2TP53EPHX1GAA
SCHEMBL3000093 0.96 LMNA (0.45) POLBCNR2TP53KMT2ALMNA
SCHEMBL2996313 0.93 S1PR3 (0.45) POLBCNR2TP53EPHX1GAA
SCHEMBL3008221 0.92 FAAH (0.49) POLBCNR2TP53EPHX1CNR1
SCHEMBL3002466 0.92 POLB (0.46) POLBCNR2TP53EPHX1GAA
SCHEMBL3005273 0.91 FAAH (0.49) POLBCNR2TP53EPHX1CNR1
SCHEMBL3002391 0.91 MAPT (0.43) POLBCNR2TP53EPHX1GAA
SCHEMBL3000282 0.90 FAAH (0.49) POLBCNR2TP53CNR1KMT2A
SCHEMBL3000341 0.89 TP53 (0.52) POLBCNR2TP53EPHX1CNR1

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-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 POLB 4404/4885CNR2 20/4885TP53 2579/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 POLB 4121/4885CNR2 3/4885TP53 4734/4885

“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.