SCHEMBL3000697

SCHEMBL3000697

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
FAAH O00519 1/20 0.54
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PTGER3 P43115 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR2 P41597 1/20 0.46

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 0.96 MAPT (0.55) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL2160433 0.94 FAAH (0.63) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL3000228 0.94 MAPT (0.53) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL2170746 0.93 FAAH (0.54) MAPTFAAHMEN1KMT2A
SCHEMBL2999877 0.92 MAPT (0.61) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL2168258 0.91 FAAH (0.65) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL3004659 0.91 PTGS2 (0.53) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL4386918 0.91 PTGS2 (0.53) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL3001888 0.90 MAPT (0.46) MAPTFAAHHTTSMN1; SMN2PTGER3
SCHEMBL2160424 0.90 TDP1 (0.52) MAPTFAAHSMN1; SMN2PTGER3RXFP1

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 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.