SCHEMBL2004751

SCHEMBL2004751

COc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGS2 P35354 2/20 0.37
PLA2G2A P14555 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 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
SCHEMBL2005459 0.91 LMNA (0.47) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL2006078 0.91 MAPT (0.38) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL2012918 0.91 MAPK1 (0.45) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL2005402 0.90 LMNA (0.39) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL2005693 0.89 MAPT (0.44) SMN1; SMN2ALDH1A1KDM4ECYP3A4RAB9A
SCHEMBL2010306 0.88 LMNA (0.40) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL2002594 0.87 LMNA (0.44) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL2004343 0.87 MAPT (0.42) SMN1; SMN2ALDH1A1CYP3A4RAB9ANPC1
SCHEMBL2007819 0.87 LMNA (0.40) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL4062283 0.86 PLA2G2A (0.36) SMN1; SMN2ALDH1A1KDM4ECYP3A4RAB9A

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 SMN1; SMN2 3581/4885ALDH1A1 1229/4885KDM4E 2243/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT SMN1; SMN2 4663/4885ALDH1A1 178/4885KDM4E 2232/4885

“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.