SCHEMBL3000228

SCHEMBL3000228

COc1cccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3)c3ccc(O)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
FAAH O00519 1/20 0.52
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PTGER3 P43115 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RGS12 O14924 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2169190 0.94 MAPT (0.55) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL3000697 0.94 MAPT (0.55) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL2160433 0.91 FAAH (0.63) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL2999877 0.90 MAPT (0.61) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL4088945 0.90 FAAH (0.52) MAPTFAAHMEN1KMT2AALDH1A1
SCHEMBL3010139 0.90 MAPT (0.43) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL2170746 0.89 FAAH (0.54) MAPTFAAHMEN1KMT2AALDH1A1
SCHEMBL3010325 0.89 MAPT (0.49) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL4090405 0.89 MEN1 (0.48) MAPTFAAHHTTMEN1KMT2A
SCHEMBL4386918 0.89 PTGS2 (0.53) MAPTFAAHHTTSMN1; SMN2PTGER3

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 MAPT 997/4885FAAH 109/4885HTT 632/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MAPT 2737/4885FAAH 1/4885HTT 1985/4885

“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.