Sugi Predict

Sugi Predict / Compounds / SCHEMBL2000683

SCHEMBL2000683

SCHEMBL2000683

COc1ccc2c(c1)c(C(=O)c1cnc(-c3ccnnc3)s1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ AHR P35869 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 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
SCHEMBL2004801 0.93 LMNA (0.47) LMNAAHRALDH1A1HPGDPPARG
SCHEMBL2007187 0.90 LMNA (0.55) LMNAAHRALDH1A1HPGDPPARG
SCHEMBL2002885 0.89 LMNA (0.47) LMNAAHRALDH1A1HPGDPPARG
SCHEMBL2003315 0.87 LMNA (0.52) LMNAAHRALDH1A1HPGDPPARG
SCHEMBL2008285 0.86 LMNA (0.46) LMNAAHRALDH1A1SMN1; SMN2MAPT
SCHEMBL2003582 0.85 LMNA (0.46) LMNAAHRALDH1A1HPGDPPARG
SCHEMBL2006311 0.85 LMNA (0.51) LMNAAHRALDH1A1SMN1; SMN2MAPT
SCHEMBL2005580 0.85 LMNA (0.47) LMNAAHRALDH1A1HPGDPPARG
SCHEMBL2007306 0.85 LMNA (0.47) LMNAAHRALDH1A1SMN1; SMN2MAPT
SCHEMBL2004269 0.85 LMNA (0.48) LMNAAHRALDH1A1SMN1; 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 3450/4885AHR 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.