SCHEMBL3010200

SCHEMBL3010200

O=C(NC1CCCCC1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
EPHX1 P07099 2/20 0.46
TP53 P04637 1/20 0.45
CNR2 P34972 5/20 0.45
GAA P10253 1/20 0.43
CNR1 P21554 1/20 0.43
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2998737 0.99 POLB (0.46) POLBEPHX1TP53CNR2GAA
SCHEMBL3005561 0.97 CNR2 (0.43) POLBEPHX1TP53CNR2GAA
SCHEMBL3000093 0.95 LMNA (0.45) POLBTP53CNR2KMT2AMAPT
SCHEMBL3002466 0.93 POLB (0.46) POLBEPHX1TP53CNR2GAA
SCHEMBL3005273 0.92 FAAH (0.49) POLBEPHX1TP53CNR2CNR1
SCHEMBL2996313 0.92 S1PR3 (0.45) POLBEPHX1TP53CNR2GAA
SCHEMBL3008221 0.91 FAAH (0.49) POLBEPHX1TP53CNR2CNR1
SCHEMBL3002391 0.90 MAPT (0.43) POLBEPHX1TP53CNR2GAA
SCHEMBL4083893 0.90 CNR2 (0.50) POLBEPHX1TP53CNR2GAA
SCHEMBL3006153 0.89 TP53 (0.54) POLBEPHX1TP53CNR2CNR1

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 4404/4885EPHX1 2394/4885TP53 2579/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 POLB 4121/4885EPHX1 177/4885TP53 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.