SCHEMBL2994843

SCHEMBL2994843

O=C(Nc1ccc(Cl)cc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FAAH O00519 1/20 0.49
MAPT P10636 4/20 0.45
PKM P14618 3/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
S1PR3 Q99500 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL3000179 0.95 MEN1 (0.58) MEN1KMT2AFAAHMAPTPKM
SCHEMBL4083658 0.93 FAAH (0.52) MEN1KMT2AFAAHMAPTPKM
SCHEMBL4088945 0.92 FAAH (0.52) MEN1KMT2AFAAHMAPTPKM
SCHEMBL4083947 0.92 FAAH (0.52) MEN1KMT2AFAAHMAPTTUBB4A
SCHEMBL4090405 0.91 MEN1 (0.48) MEN1KMT2AFAAHMAPTPKM
SCHEMBL4094004 0.88 L3MBTL1 (0.44) MEN1KMT2AFAAHMAPTPKM
SCHEMBL3006579 0.88 FAAH (0.56) MEN1KMT2AFAAHMAPTPKM
SCHEMBL2994797 0.88 FAAH (0.63) MEN1KMT2AFAAHMAPT
SCHEMBL3002308 0.87 PDE4A (0.50) MEN1KMT2AFAAHTUBB4ATUBB
SCHEMBL3006281 0.86 FAAH (0.49) MEN1KMT2AFAAHMAPTTUBB4A

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 7 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
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO 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 MEN1 3970/4885KMT2A 2233/4885FAAH 109/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MEN1 4573/4885KMT2A 2103/4885FAAH 1/4885

“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.