SCHEMBL2992838

SCHEMBL2992838

CCOc1ccc2c(c1)c(C(=O)C(=O)NC1CCC1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PLA2G2A P14555 1/20 0.41
FAAH O00519 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL2992370 0.98 LMNA (0.41) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL3005102 0.97 LMNA (0.43) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL3005740 0.96 ALDH1A1 (0.43) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL4386921 0.94 MAPT (0.42) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL3004246 0.91 ALDH1A1 (0.52) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL3006433 0.90 LMNA (0.40) LMNAMAPTMEN1ALDH1A1TSHR
SCHEMBL3008192 0.89 ALDH1A1 (0.52) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL2991100 0.89 PLA2G2A (0.40) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL3001965 0.88 MAPT (0.51) LMNAMAPTMEN1RGS12ALDH1A1
SCHEMBL2995940 0.88 RAB9A (0.40) LMNAMAPTMEN1ALDH1A1TSHR

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 3450/4885MAPT 997/4885MEN1 3970/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885MAPT 2737/4885MEN1 4573/4885

“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.