SCHEMBL2002804

SCHEMBL2002804

COc1ccc2c(c1)c(C(=O)c1nc(-c3ccccn3)no1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PLA2G2A P14555 5/20 0.44
PKM P14618 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 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
SCHEMBL2004134 0.94 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2002872 0.93 PLA2G2A (0.49) NPC1RAB9ASMN1; SMN2PLA2G2APKM
SCHEMBL2003066 0.92 MAPT (0.46) SMN1; SMN2PLA2G2APKMMAPTKMT2A
SCHEMBL2006770 0.92 GRM5 (0.42) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL2001691 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PLA2G2APKM
SCHEMBL2004420 0.90 FAAH (0.44) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL2005119 0.89 MAPT (0.43) PLA2G2APKMMAPTKMT2ALMNA
SCHEMBL2002568 0.89 PKM (0.43) NPC1RAB9APLA2G2APKMMAPT
SCHEMBL2000418 0.89 MEN1 (0.43) PLA2G2APKMMAPTKMT2ALMNA
SCHEMBL2003750 0.89 FAAH (0.40) NPC1RAB9ASMN1; SMN2PKMMAPT

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 8 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
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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT NPC1 2525/4885RAB9A 1688/4885SMN1; SMN2 4663/4885

“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.