SCHEMBL2005095

SCHEMBL2005095

COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccnnc3)o1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
PMP22 Q01453 2/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
GNAI1 P63096 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
PLA2G2A P14555 5/20 0.42
PTGS2 P35354 4/20 0.39
PTGS1 P23219 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
SCHEMBL2001166 0.93 ALDH1A1 (0.50) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2005079 0.91 MAPK1 (0.49) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2005360 0.90 PLA2G2A (0.38) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2006556 0.90 FAAH (0.42) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2001738 0.89 CYP3A4 (0.44) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2002896 0.88 PLA2G2A (0.49) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2006544 0.86 LMNA (0.42) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2005657 0.86 MEN1 (0.44) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2007572 0.85 MEN1 (0.46) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2000669 0.85 ALDH1A1 (0.44) LMNAMAPK1CYP1A2CYP3A4CYP2C9

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 LMNA 3450/4885MAPK1 2437/4885CYP1A2 287/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885MAPK1 4420/4885CYP1A2 360/4885

“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.