Sugi Predict

Sugi Predict / Compounds / SCHEMBL2994841

SCHEMBL2994841

SCHEMBL2994841

O=C(Nc1ccncn1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FAAH O00519 2/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ GALR3 O60755 2/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33

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
SCHEMBL3001652 0.95 MAPK1 (0.38) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL2995899 0.90 FAAH (0.46) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL4392423 0.90 FAAH (0.46) ALDH1A1LMNAMAPTALOX12MAPK1
SCHEMBL3005775 0.89 LMNA (0.44) ALDH1A1LMNAMAPTALOX12MAPK1
SCHEMBL4094085 0.89 L3MBTL1 (0.37) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL3007013 0.89 FAAH (0.45) ALDH1A1MAPTFAAHPDE4APDE4B
SCHEMBL3007020 0.89 L3MBTL1 (0.44) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL3010532 0.88 PLA2G2A (0.41) ALDH1A1LMNAMAPTMAPK1FAAH
SCHEMBL3003714 0.88 FAAH (0.37) LMNAMAPTMAPK1FAAHSMN1; SMN2
SCHEMBL3005180 0.87 JAK2 (0.42) L3MBTL1ALDH1A1LMNAMAPTALOX12

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 7 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO 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 L3MBTL1 2079/4885ALDH1A1 1229/4885LMNA 3450/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 L3MBTL1 2963/4885ALDH1A1 648/4885LMNA 4089/4885

“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.