Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005693

SCHEMBL2005693

SCHEMBL2005693

O=C(c1nnc(-c2cccnc2)o1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ NPY1R P25929 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL2006415 0.91 MAPT (0.48) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2005317 0.91 MAPK1 (0.53) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2006078 0.90 MAPT (0.38) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2005849 0.90 MAPT (0.44) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2004751 0.89 SMN1; SMN2 (0.41) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2005528 0.89 MAPT (0.53) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1999349 0.87 MAPT (0.43) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2003094 0.86 MAPT (0.46) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2004660 0.86 MAPT (0.43) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2001125 0.85 MAPT (0.44) MAPTNPSR1KDM4EALDH1A1SMN1; SMN2

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
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 60/4885KDM4E 2243/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885NPSR1 114/4885KDM4E 2232/4885

“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.