Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005580

SCHEMBL2005580

SCHEMBL2005580

COc1ccc2c(c1)c(C(=O)c1cnc(-c3cnccn3)s1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ AHR P35869 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ PTGS2 P35354 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ PLA2G2A P14555 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PPARG P37231 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
SCHEMBL2006311 0.90 LMNA (0.51) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2004106 0.89 LMNA (0.45) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2004801 0.89 LMNA (0.47) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2004404 0.89 AHR (0.49) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2002885 0.88 LMNA (0.47) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2003315 0.87 LMNA (0.52) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2003582 0.87 LMNA (0.46) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2006822 0.87 LMNA (0.47) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2007187 0.86 LMNA (0.55) LMNAALDH1A1AHRSMN1; SMN2MAPT
SCHEMBL2006518 0.86 LMNA (0.47) LMNAALDH1A1AHRSMN1; SMN2MAPT

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 6 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-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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — 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 (3 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 3450/4885ALDH1A1 1229/4885AHR 28/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885ALDH1A1 178/4885AHR 183/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885ALDH1A1 648/4885AHR 27/4885

“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.