SCHEMBL3003107

SCHEMBL3003107

CCOc1ccc2c(c1)c(C(=O)C(=O)NC1CC1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PLA2G2A P14555 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 2/20 0.37
CNR2 P34972 1/20 0.37
SLC26A4 O43511 1/20 0.36
GSK3B P49841 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
SCHEMBL3006433 0.97 LMNA (0.40) LMNASMN1; SMN2PLA2G2AKDM4EALDH1A1
SCHEMBL2995940 0.97 RAB9A (0.40) LMNASMN1; SMN2PLA2G2AKDM4EALDH1A1
SCHEMBL2995045 0.96 RAB9A (0.41) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL3005888 0.91 PLA2G2A (0.47) LMNAPLA2G2AALDH1A1MEN1KMT2A
SCHEMBL3008414 0.89 EPHX2 (0.40) LMNASMN1; SMN2PLA2G2AKDM4EALDH1A1
SCHEMBL3005740 0.89 ALDH1A1 (0.43) LMNAPLA2G2AKDM4EALDH1A1MEN1
SCHEMBL2991069 0.89 SIGMAR1 (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3000809 0.88 PLA2G2A (0.45) LMNAPLA2G2AALDH1A1MEN1KMT2A
SCHEMBL3002319 0.88 PLA2G2A (0.45) LMNAPLA2G2AALDH1A1MEN1KMT2A
SCHEMBL3004912 0.87 PLA2G2A (0.45) LMNAPLA2G2AALDH1A1MEN1KMT2A

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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO 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 LMNA 3450/4885SMN1; SMN2 3581/4885PLA2G2A 3285/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885SMN1; SMN2 4055/4885PLA2G2A 242/4885

“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.