SCHEMBL3000294

SCHEMBL3000294

O=C(Nc1cccc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL4099768 0.94 MEN1 (0.45) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL3000386 0.93 FAAH (0.56) FAAHMAPTMEN1CYP1A2CYP2C19
SCHEMBL2996357 0.93 MAPT (0.47) FAAHMAPTTP53
SCHEMBL3003969 0.93 FAAH (0.46) FAAHMAPTMEN1KMT2ACYP3A4
SCHEMBL3007524 0.92 FAAH (0.48) FAAHMAPTMEN1KMT2ACYP3A4
SCHEMBL2994830 0.91 FAAH (0.50) FAAHMAPTMEN1CYP1A2CYP2C19
SCHEMBL3004516 0.90 MAPT (0.51) FAAHMAPTMEN1HTTKMT2A
SCHEMBL3005608 0.90 FAAH (0.47) FAAHMAPTMEN1KMT2ATP53
SCHEMBL3006717 0.89 THRB (0.42) FAAHMAPTMEN1CYP1A2CYP2C19
SCHEMBL3106075 0.88 PDE4A (0.49) FAAHMEN1KMT2A

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 FAAH 109/4885MAPT 997/4885MEN1 3970/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885MAPT 2737/4885MEN1 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.