Sugi Predict

Sugi Predict / Compounds / SCHEMBL2003356

SCHEMBL2003356

SCHEMBL2003356

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL2003581 0.90 MAPT (0.49) MAPTKDM4ENPY1RHTTNPY2R
SCHEMBL2006078 0.90 MAPT (0.38) MAPTRAB9ANPC1L3MBTL1KDM4E
SCHEMBL2004164 0.90 MAPK1 (0.51) MAPTKDM4ENPY1RHTTNPY2R
SCHEMBL2004554 0.89 MAPT (0.46) MAPTKDM4ENPY1RHTTNPY2R
SCHEMBL2005528 0.89 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2008768 0.86 MAPT (0.46) MAPTKDM4ENPY1RHTTNPY2R
SCHEMBL2007926 0.86 MAPT (0.50) MAPTKDM4ENPY1RHTTNPY2R
SCHEMBL2009747 0.85 MAPT (0.46) MAPTKDM4ENPY1RHTTNPY2R
SCHEMBL2002800 0.84 MAPT (0.46) MAPTRAB9ANPC1KDM4ENPY1R
SCHEMBL2008807 0.83 MAPT (0.46) MAPTKDM4ENPY1RHTTNPY2R

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 997/4885CYP1A2 287/4885CYP3A4 374/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885CYP1A2 360/4885CYP3A4 618/4885

“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.