SCHEMBL2005689

SCHEMBL2005689

COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.41
GSK3B P49841 2/20 0.41
TSHR P16473 2/20 0.41
GSK3A P49840 1/20 0.41
PLA2G2A P14555 5/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 2/20 0.37
MAPT P10636 3/20 0.36
RGS12 O14924 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2005116 0.93 LMNA (0.42) MAPK1LMNAKMT2AGSK3BTSHR
SCHEMBL1997617 0.93 PLA2G2A (0.44) MAPK1LMNAKMT2AGSK3BTSHR
SCHEMBL2000432 0.93 PLA2G2A (0.42) MAPK1LMNAKMT2AGSK3BTSHR
SCHEMBL2007585 0.92 LMNA (0.49) MAPK1LMNAKMT2AGSK3BTSHR
SCHEMBL2005360 0.91 PLA2G2A (0.38) MAPK1LMNAKMT2AGSK3BTSHR
SCHEMBL2004073 0.91 KDM4E (0.41) LMNAGSK3BPLA2G2AKDM4EALDH1A1
SCHEMBL1999740 0.90 LMNA (0.45) MAPK1LMNAKMT2AGSK3BTSHR
SCHEMBL2005079 0.90 MAPK1 (0.49) MAPK1LMNAKMT2ATSHRPLA2G2A
SCHEMBL2007059 0.90 MAPK1 (0.41) MAPK1LMNAKMT2AGSK3BTSHR
SCHEMBL2000320 0.89 LMNA (0.46) MAPK1LMNAKMT2AGSK3BTSHR

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 10 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-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 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 (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 MAPK1 2437/4885LMNA 3450/4885KMT2A 2233/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPK1 4420/4885LMNA 4536/4885KMT2A 2169/4885

“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.