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SCHEMBL2003299

SCHEMBL2003299

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3cnccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIEZO1 Q92508 4/20 0.40
▸ FAAH O00519 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ P2RX7 Q99572 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL2003206 0.94 FAAH (0.40) PIEZO1FAAHTERTPTGES2PTGS1
SCHEMBL2004681 0.91 PIEZO1 (0.39) PIEZO1TERTPTGDR2TP53LMNA
SCHEMBL2002717 0.90 FAAH (0.44) PIEZO1FAAHTERTPTGES2PTGS1
SCHEMBL2004162 0.90 OPRK1 (0.38) FAAHLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL2009994 0.90 PIEZO1 (0.41) PIEZO1TERTTP53LMNASMN1; SMN2
SCHEMBL2002612 0.89 FAAH (0.35) FAAHPTGS1PTGDR2TP53P2RX7
SCHEMBL2006623 0.87 POLB (0.38) FAAHPTGES2LMNASMN1; SMN2ALDH1A1
SCHEMBL1999740 0.87 LMNA (0.45) FAAHPTGS1PTGDR2TP53LMNA
SCHEMBL2002062 0.87 FAAH (0.37) FAAHPTGS1PTGDR2TP53LMNA
SCHEMBL2004146 0.87 ALDH1A1 (0.39) FAAHPTGES2PTGS1PTGDR2TP53

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 PIEZO1 3261/4885FAAH 109/4885TERT 4467/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PIEZO1 4871/4885FAAH 1/4885TERT 4851/4885

“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.