Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004073

SCHEMBL2004073

SCHEMBL2004073

COc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CYP17A1 P05093 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ PLA2G2A P14555 4/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ TNIK Q9UKE5 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL2006961 0.93 LMNA (0.40) KDM4ECYP3A4NPC1RAB9AALDH1A1
SCHEMBL2005951 0.93 PLA2G2A (0.43) KDM4ECYP3A4NPC1RAB9AALDH1A1
SCHEMBL2003660 0.93 RAB9A (0.40) KDM4ECYP3A4NPC1RAB9AALDH1A1
SCHEMBL2000432 0.91 PLA2G2A (0.42) KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL2006623 0.91 POLB (0.38) KDM4ECYP3A4NPC1RAB9AALDH1A1
SCHEMBL2001738 0.91 CYP3A4 (0.44) KDM4ECYP3A4NPC1RAB9AALDH1A1
SCHEMBL2005689 0.91 MAPK1 (0.44) KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL2004484 0.90 KDM4E (0.38) KDM4ECYP3A4NPC1RAB9AALDH1A1
SCHEMBL2005360 0.90 PLA2G2A (0.38) KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL2003230 0.89 LMNA (0.41) KDM4ECYP3A4NPC1RAB9AALDH1A1

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 KDM4E 2243/4885CYP3A4 374/4885NPC1 2681/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT KDM4E 2232/4885CYP3A4 618/4885NPC1 2525/4885

“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.