Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005227

SCHEMBL2005227

SCHEMBL2005227

Cc1c(C(=O)c2nnc(-c3ccnnc3)o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ VDR P11473 1/20 0.36
▸ GAA P10253 2/20 0.35

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
SCHEMBL2001587 0.92 LMNA (0.41) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2003818 0.92 FAAH (0.39) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2002255 0.91 MAPK1 (0.48) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2004031 0.90 LMNA (0.41) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2008829 0.90 PLA2G2A (0.43) LMNAMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2005749 0.90 LMNA (0.45) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2004572 0.89 LMNA (0.43) LMNAMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2002396 0.86 LMNA (0.43) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2004477 0.86 LMNA (0.41) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2003974 0.86 LMNA (0.41) LMNAMAPTALDH1A1ALOX12SMN1; 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 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 LMNA 3450/4885MAPT 997/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885MAPT 3753/4885ALDH1A1 178/4885

“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.