SCHEMBL3004516

SCHEMBL3004516

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
FAAH O00519 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
PTGER3 P43115 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.44
PLA2G2A P14555 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3006244 0.96 MAPT (0.51) MAPTFAAHSMN1; SMN2HTTPTGER3
SCHEMBL3002650 0.94 FAAH (0.59) MAPTFAAHSMN1; SMN2HTTPTGER3
SCHEMBL3010325 0.94 MAPT (0.49) MAPTFAAHSMN1; SMN2HTTPTGER3
SCHEMBL2994830 0.94 FAAH (0.50) MAPTFAAHSMN1; SMN2PLA2G2AMEN1
SCHEMBL2998247 0.93 MAPT (0.57) MAPTFAAHSMN1; SMN2HTTPTGER3
SCHEMBL2999400 0.92 PTGS2 (0.50) MAPTFAAHSMN1; SMN2HTTPTGER3
SCHEMBL3000373 0.91 MAPT (0.43) MAPTFAAHSMN1; SMN2HTTPTGER3
SCHEMBL3000280 0.90 PLA2G2A (0.49) MAPTFAAHPLA2G2AMEN1KMT2A
SCHEMBL3007547 0.90 FAAH (0.51) MAPTFAAHTP53PLA2G2AMEN1
SCHEMBL3000294 0.90 FAAH (0.47) MAPTFAAHSMN1; SMN2HTTL3MBTL1

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 109/4885SMN1; SMN2 3581/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MAPT 2737/4885FAAH 1/4885SMN1; SMN2 4055/4885

“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.