SCHEMBL4088941

SCHEMBL4088941

Cc1cc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(O)cc23)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.34
SORT1 Q99523 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4100722 0.95 FAAH (0.47) FAAHALDH1A1LMNASMN1; SMN2JAK2
SCHEMBL4083379 0.93 FAAH (0.53) FAAHALDH1A1LMNASMN1; SMN2JAK2
SCHEMBL4384201 0.92 FAAH (0.53) FAAHALDH1A1LMNASMN1; SMN2JAK2
SCHEMBL3000300 0.92 FAAH (0.43) FAAHL3MBTL1ALDH1A1LMNASMARCA2
SCHEMBL4089223 0.90 FAAH (0.43) FAAHALDH1A1LMNASMN1; SMN2SMARCA2
SCHEMBL3002122 0.90 FAAH (0.55) FAAHALDH1A1LMNASMARCA2SMARCA4
SCHEMBL4101968 0.90 FAAH (0.49) FAAHALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2998499 0.89 JAK2 (0.39) FAAHL3MBTL1ALDH1A1LMNAJAK2
SCHEMBL2999250 0.89 FAAH (0.48) FAAHL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL4100773 0.89 FAAH (0.45) FAAHALDH1A1LMNASMN1; SMN2TP53

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
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-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 (1 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885L3MBTL1 2963/4885ALDH1A1 648/4885

“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.