Sugi Predict

Sugi Predict / Compounds / SCHEMBL2005994

SCHEMBL2005994

SCHEMBL2005994

COc1ccc2c(c1)c(C(=O)c1csc(-c3ccccn3)n1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ AHR P35869 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 3/20 0.46
▸ TLR7 Q9NYK1 1/20 0.43
▸ PLA2G2A P14555 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL2003103 0.91 LMNA (0.52) LMNAAHRALDH1A1MAPTTLR7
SCHEMBL2004492 0.89 AHR (0.46) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL2002249 0.89 LMNA (0.47) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL2006518 0.89 LMNA (0.47) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL2003062 0.89 LMNA (0.55) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL2003635 0.87 LMNA (0.48) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL1998396 0.87 AHR (0.55) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL2006914 0.86 LMNA (0.51) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL2004951 0.86 AHR (0.54) LMNAAHRALDH1A1MAPTPLA2G2A
SCHEMBL2006311 0.85 LMNA (0.51) LMNAAHRALDH1A1MAPTPLA2G2A

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 3450/4885AHR 28/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885AHR 183/4885ALDH1A1 178/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885AHR 27/4885ALDH1A1 648/4885

“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.