Sugi Predict

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SCHEMBL2003206

SCHEMBL2003206

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ PIEZO1 Q92508 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ P2RX7 Q99572 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PLA2G2A P14555 1/20 0.32
▸ 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

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
SCHEMBL2003299 0.94 PIEZO1 (0.40) FAAHPIEZO1PTGDR2PTGS1TERT
SCHEMBL2002895 0.92 PIEZO1 (0.41) PIEZO1L3MBTL1PTGDR2TERTLMNA
SCHEMBL2002968 0.92 PLA2G2A (0.42) PIEZO1PTGDR2LMNAPLA2G2AALDH1A1
SCHEMBL2000438 0.90 FAAH (0.49) FAAHPIEZO1PTGDR2PTGS1TERT
SCHEMBL2002707 0.90 FAAH (0.41) FAAHL3MBTL1PTGDR2PTGS1LMNA
SCHEMBL2004732 0.89 FAAH (0.40) FAAHL3MBTL1PTGDR2PTGS1TP53
SCHEMBL2006336 0.87 FAAH (0.38) FAAHL3MBTL1PTGES2LMNASMN1; SMN2
SCHEMBL2010078 0.87 FAAH (0.42) FAAHL3MBTL1PTGDR2PTGS1TP53
SCHEMBL2004245 0.87 LMNA (0.45) FAAHL3MBTL1PTGDR2PTGS1TP53
SCHEMBL2005889 0.87 FAAH (0.40) FAAHL3MBTL1PTGDR2PTGS1PTGES2

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 FAAH 109/4885PIEZO1 3261/4885L3MBTL1 2079/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885PIEZO1 4871/4885L3MBTL1 3423/4885

“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.