Sugi Predict

Sugi Predict / Compounds / SCHEMBL2003278

SCHEMBL2003278

SCHEMBL2003278

O=C(c1nnc(-c2ccncn2)o1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ NPSR1 Q6W5P4 5/20 0.52
▸ HTT P42858 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 1/20 0.51
▸ TUBB2A Q13885 1/20 0.51
▸ TUBB8 Q3ZCM7 1/20 0.51
▸ TUBA3E Q6PEY2 1/20 0.51
▸ TUBA1A Q71U36 1/20 0.51
▸ TUBA1C Q9BQE3 1/20 0.51
▸ TUBB6 Q9BUF5 1/20 0.51
▸ TUBB2B Q9BVA1 1/20 0.51

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
SCHEMBL2004750 0.90 MAPT (0.55) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2008492 0.89 MAPT (0.43) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2008807 0.88 MAPT (0.46) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2002682 0.87 MAPT (0.52) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2001109 0.87 TUBB4A (0.56) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL1999750 0.86 LMNA (0.45) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2003056 0.86 MAPT (0.57) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2001826 0.85 MAPT (0.54) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2009463 0.84 NPSR1 (0.59) MAPTNPSR1HTTKDM4ENPY1R
SCHEMBL2005528 0.83 MAPT (0.53) MAPTNPSR1HTTKDM4ENPY1R

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 MAPT 997/4885NPSR1 60/4885HTT 632/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885NPSR1 114/4885HTT 2115/4885

“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.