Sugi Predict

Sugi Predict / Compounds / SCHEMBL2009446

SCHEMBL2009446

SCHEMBL2009446

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ PTGER3 P43115 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL2002705 0.92 MAPK1 (0.46) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2006078 0.91 MAPT (0.38) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2006415 0.90 MAPT (0.48) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2005459 0.90 LMNA (0.47) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2003581 0.89 MAPT (0.49) MAPTLMNASMN1; SMN2TP53MAPK1
SCHEMBL2001543 0.89 MAPT (0.42) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2002362 0.88 MAPT (0.39) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2004594 0.88 MAPT (0.40) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2003629 0.87 MAPT (0.39) MAPTLMNAGAASMN1; SMN2TP53
SCHEMBL2006138 0.85 MAPT (0.44) MAPTLMNAGAASMN1; SMN2TP53

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 997/4885LMNA 3450/4885GAA 4587/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885LMNA 4536/4885GAA 1769/4885

“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.