SCHEMBL1997617

SCHEMBL1997617

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.44
MAPK1 P28482 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL2005689 0.93 MAPK1 (0.44) PLA2G2AMAPK1LMNATSHRALDH1A1
SCHEMBL2004694 0.93 PLA2G2A (0.50) PLA2G2AMAPK1LMNATSHRALDH1A1
SCHEMBL2008829 0.91 PLA2G2A (0.43) PLA2G2AMAPK1LMNATSHRALDH1A1
SCHEMBL2004245 0.91 LMNA (0.45) MAPK1LMNATSHRALDH1A1PKM
SCHEMBL2005951 0.91 PLA2G2A (0.43) PLA2G2AMAPK1LMNATSHRALDH1A1
SCHEMBL2002255 0.89 MAPK1 (0.48) MAPK1LMNATSHRALDH1A1PKM
SCHEMBL2007059 0.89 MAPK1 (0.41) PLA2G2AMAPK1LMNATSHRALDH1A1
SCHEMBL2008174 0.89 PLA2G2A (0.42) PLA2G2AMAPK1LMNATSHRALDH1A1
SCHEMBL2003342 0.89 PLA2G2A (0.44) PLA2G2AMAPK1LMNATSHRALDH1A1
SCHEMBL2002968 0.88 PLA2G2A (0.42) PLA2G2AMAPK1LMNATSHRALDH1A1

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 PLA2G2A 3285/4885MAPK1 2437/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885MAPK1 4420/4885LMNA 4536/4885

“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.