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SCHEMBL2012918

SCHEMBL2012918

COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncc3)o1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.45
▸ LMNA P02545 7/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL2005459 0.93 LMNA (0.47) MAPK1LMNAKMT2ATSHRALDH1A1
SCHEMBL2005402 0.91 LMNA (0.39) MAPK1LMNAKMT2ATSHRGSK3B
SCHEMBL2004751 0.91 SMN1; SMN2 (0.41) MAPK1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2002705 0.90 MAPK1 (0.46) MAPK1LMNAKMT2ATSHRGSK3B
SCHEMBL2005645 0.89 LMNA (0.38) LMNAKMT2ATSHRGSK3BALDH1A1
SCHEMBL2002594 0.89 LMNA (0.44) LMNAKMT2ATSHRALDH1A1KDM4E
SCHEMBL2010306 0.87 LMNA (0.40) LMNATSHRGSK3BALDH1A1KDM4E
SCHEMBL2005317 0.87 MAPK1 (0.53) MAPK1LMNAKMT2ATSHRGSK3B
SCHEMBL2009332 0.86 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2007819 0.86 LMNA (0.40) LMNATSHRGSK3BALDH1A1KDM4E

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.