SCHEMBL4089089

SCHEMBL4089089

O=C(Nc1ccccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
TSHR P16473 2/20 0.41
EPHX2 P34913 2/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
GRM4 Q14833 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNMA1 Q12791 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL3004933 0.95 L3MBTL1 (0.41) NPC1RAB9APKMMITFTP53
SCHEMBL4090374 0.95 LMNA (0.43) NPC1RAB9APKMMITFTP53
SCHEMBL3011555 0.94 FAAH (0.44) NPC1RAB9APKMMITFTP53
SCHEMBL3001872 0.92 PLA2G2A (0.41) NPC1RAB9APKMMITFTP53
SCHEMBL3007424 0.91 NPC1 (0.38) NPC1RAB9APKMMITFTP53
SCHEMBL4088892 0.90 EPHX2 (0.40) NPC1RAB9ATSHREPHX2LMNA
SCHEMBL4090183 0.90 KMT2A (0.45) NPC1RAB9APKMMITFTP53
SCHEMBL4093988 0.89 EPHX2 (0.36) TSHREPHX2LMNAMAPTALDH1A1
SCHEMBL3001251 0.88 NPC1 (0.44) NPC1RAB9APKMMITFTP53
SCHEMBL4377332 0.88 L3MBTL1 (0.38) NPC1RAB9APKMMITFTP53

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
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
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 NPC1 2508/4885RAB9A 2477/4885PKM 3725/4885

“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.