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SCHEMBL2003124

SCHEMBL2003124

COc1ccc2c(c1)c(C(=O)c1nc(-c3ccncn3)no1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 5/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 6/20 0.35
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL2003234 0.94 LMNA (0.35) PLA2G2ATP53MAPTLMNACYP3A4
SCHEMBL2003311 0.93 PLA2G2A (0.42) PLA2G2APTGDR2MAPTLMNAALDH1A1
SCHEMBL2003287 0.93 LMNA (0.34) TP53MAPTLMNAALDH1A1MAPK1
SCHEMBL2007239 0.91 TP53 (0.35) PTGDR2TP53MAPTLMNAALDH1A1
SCHEMBL2000418 0.91 MEN1 (0.43) PLA2G2AMAPTLMNAALDH1A1MAPK1
SCHEMBL2003162 0.91 PLA2G2A (0.37) PLA2G2APTGDR2TP53MAPTLMNA
SCHEMBL2001691 0.90 NPC1 (0.41) PLA2G2APTGDR2TP53MAPTLMNA
SCHEMBL2004749 0.90 L3MBTL1 (0.36) TP53MAPTLMNAALDH1A1MAPK1
SCHEMBL1997397 0.89 PTGS2 (0.38) PLA2G2APTGDR2TP53MAPTLMNA
SCHEMBL2007846 0.89 NPC1 (0.40) PLA2G2ATP53MAPTLMNAMEN1

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 9 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-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 3285/4885PTGDR2 68/4885TP53 2579/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PTGDR2 157/4885TP53 4264/4885

“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.