Sugi Predict

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SCHEMBL2004732

SCHEMBL2004732

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncn3)o1)c(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 4/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ PLA2G2A P14555 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ PTGER3 P43115 2/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ HTT P42858 1/20 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
SCHEMBL2002612 0.94 FAAH (0.35) FAAHL3MBTL1PTGDR2PTGS1TP53
SCHEMBL2001843 0.92 LMNA (0.40) L3MBTL1LMNAP2RX7MAPK1SMN1; SMN2
SCHEMBL2008174 0.92 PLA2G2A (0.42) FAAHPTGDR2LMNAMAPK1PLA2G2A
SCHEMBL2002542 0.90 FAAH (0.49) FAAHPTGDR2PTGS1LMNAMAPK1
SCHEMBL2004842 0.90 FAAH (0.33) FAAHPTGDR2PTGS1TP53LMNA
SCHEMBL2002707 0.90 FAAH (0.41) FAAHL3MBTL1PTGDR2PTGS1LMNA
SCHEMBL2003206 0.89 FAAH (0.40) FAAHL3MBTL1PTGDR2PTGS1TP53
SCHEMBL2004245 0.89 LMNA (0.45) FAAHL3MBTL1PTGDR2PTGS1TP53
SCHEMBL2003216 0.88 LMNA (0.35) L3MBTL1LMNAP2RX7MAPK1SMN1; SMN2
SCHEMBL2010078 0.87 FAAH (0.42) FAAHL3MBTL1PTGDR2PTGS1TP53

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-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 — — US disclosed
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 109/4885L3MBTL1 2079/4885PTGDR2 68/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885L3MBTL1 3423/4885PTGDR2 157/4885

“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.