SCHEMBL4062283

SCHEMBL4062283

COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)c(C)n2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)cn2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)c(C)n2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)cn2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)c(C)n2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.36
ALDH1A1 P00352 6/20 0.35
LMNA P02545 4/20 0.35
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
GNAI1 P63096 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2005951 0.87 PLA2G2A (0.43) PLA2G2AALDH1A1LMNATSHRMAPT
SCHEMBL2004751 0.86 SMN1; SMN2 (0.41) PLA2G2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2002529 0.86 PLA2G2A (0.43) PLA2G2AALDH1A1LMNATSHRMAPT
SCHEMBL2009332 0.86 LMNA (0.44) PLA2G2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2004694 0.84 PLA2G2A (0.50) PLA2G2AALDH1A1LMNATSHRMAPT
SCHEMBL2005459 0.83 LMNA (0.47) PLA2G2AALDH1A1LMNATSHRMAPT
SCHEMBL2002968 0.82 PLA2G2A (0.42) PLA2G2AALDH1A1LMNATSHRMAPT
SCHEMBL2010306 0.81 LMNA (0.40) PLA2G2AALDH1A1LMNATSHRMAPT
SCHEMBL2004073 0.81 KDM4E (0.41) PLA2G2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1999938 0.80 PLA2G2A (0.39) PLA2G2ALMNAMAPTSMN1; SMN2PTGDR2

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 2 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-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 (1 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885ALDH1A1 178/4885LMNA 4536/4885

“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.