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SCHEMBL2002875

SCHEMBL2002875

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccnnc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ TP53 P04637 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTGER3 P43115 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31

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
SCHEMBL2003818 0.94 FAAH (0.39) LMNAMAPK1TP53FAAHKMT2A
SCHEMBL1999740 0.91 LMNA (0.45) LMNAMAPK1TP53FAAHKMT2A
SCHEMBL2005360 0.91 PLA2G2A (0.38) LMNAMAPK1TP53KMT2ATSHR
SCHEMBL2006556 0.90 FAAH (0.42) LMNAMAPK1FAAHKMT2ATSHR
SCHEMBL2006623 0.90 POLB (0.38) LMNAMAPK1FAAHSMN1; SMN2TSHR
SCHEMBL2001587 0.89 LMNA (0.41) LMNAMAPK1TP53KMT2ASMN1; SMN2
SCHEMBL2003232 0.88 LMNA (0.38) LMNAMAPK1TP53KMT2ASMN1; SMN2
SCHEMBL2004777 0.86 TP53 (0.37) LMNAMAPK1TP53FAAHKMT2A
SCHEMBL2002062 0.86 FAAH (0.37) LMNAMAPK1TP53FAAHKMT2A
SCHEMBL1999496 0.85 LMNA (0.35) LMNATP53FAAHKMT2ASMN1; SMN2

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 2437/4885TP53 2579/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885MAPK1 4420/4885TP53 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.