SCHEMBL3000341

SCHEMBL3000341

O=C(NC1CCCC1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 1/20 0.46
POLB P06746 3/20 0.46
TBXA2R P21731 1/20 0.46
PTGDR Q13258 1/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
DRD4 P21917 1/20 0.43
F10 P00742 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL3006153 0.99 TP53 (0.54) TP53RAB9AKMT2AEPHX1POLB
SCHEMBL3004122 0.98 TP53 (0.50) TP53RAB9AKMT2AEPHX1POLB
SCHEMBL3005208 0.96 TP53 (0.47) TP53RAB9AKMT2APOLBTBXA2R
SCHEMBL2998737 0.89 POLB (0.46) TP53KMT2AEPHX1POLBCNR1
SCHEMBL4094014 0.89 TP53 (0.52) TP53RAB9AKMT2AEPHX1POLB
SCHEMBL3010200 0.88 POLB (0.48) TP53RAB9AKMT2AEPHX1POLB
SCHEMBL3005561 0.87 CNR2 (0.43) TP53KMT2AEPHX1POLBTBXA2R
SCHEMBL3002008 0.87 LMNA (0.47) TP53RAB9AKMT2APOLBF10
SCHEMBL3005610 0.87 TP53 (0.49) TP53RAB9AKMT2AEPHX1POLB
SCHEMBL2996313 0.86 S1PR3 (0.45) TP53RAB9AKMT2AEPHX1POLB

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 5 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
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
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 TP53 2579/4885RAB9A 3562/4885KMT2A 2233/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 TP53 4734/4885RAB9A 2477/4885KMT2A 2103/4885

“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.