SCHEMBL2005129

SCHEMBL2005129

COc1ccc2c(c1)c(C(=O)c1nc(-c3ccncc3)no1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
RGS12 O14924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
GNAI1 P63096 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
SMPD1 P17405 1/20 0.44
PLA2G2A P14555 4/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2005817 0.93 SMPD1 (0.44) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL2005207 0.92 ALDH1A1 (0.52) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL2001742 0.92 PLA2G2A (0.48) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL2004345 0.91 SMPD1 (0.41) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL2005657 0.91 MEN1 (0.44) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL1997418 0.90 CYP3A4 (0.43) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL2007846 0.90 NPC1 (0.40) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL2003986 0.90 TP53 (0.47) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL2005271 0.89 TSHR (0.43) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL2003066 0.89 MAPT (0.46) TSHRMAPK1MEN1KMT2ALMNA

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 7 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-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

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 TSHR 3577/4885MAPK1 2437/4885MEN1 3970/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT TSHR 2555/4885MAPK1 4420/4885MEN1 2374/4885

“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.