SCHEMBL4089977

SCHEMBL4089977

CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
FADS1 O60427 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
THRB P10828 1/20 0.39
FAAH O00519 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
EPHX2 P34913 1/20 0.36
F2RL3 Q96RI0 1/20 0.36

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
SCHEMBL3008903 0.94 MEN1 (0.41) TP53MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3002874 0.94 PTGS2 (0.46) TP53FAAHPTGS2LMNAMAPT
SCHEMBL3010861 0.93 MEN1 (0.44) TP53MEN1KMT2AFAAHPOLB
SCHEMBL4088421 0.92 PLA2G2A (0.43) TP53FADS1MEN1KMT2ATHRB
SCHEMBL3005608 0.91 FAAH (0.47) TP53FADS1MEN1KMT2AFAAH
SCHEMBL3008455 0.91 MEN1 (0.42) MEN1KMT2AFAAHPOLBSMN1; SMN2
SCHEMBL3001109 0.90 MAPT (0.42) MEN1KMT2AFAAHPTGS2SMN1; SMN2
SCHEMBL3006717 0.90 THRB (0.42) TP53MEN1KMT2ATHRBFAAH
SCHEMBL2999781 0.90 FAAH (0.43) TP53MEN1KMT2AFAAHPOLB
SCHEMBL3005046 0.90 FAAH (0.41) MEN1KMT2AFAAHPOLBSMN1; SMN2

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 2 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
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 (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 TP53 4734/4885FADS1 87/4885MEN1 4573/4885

“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.