SCHEMBL4087929

SCHEMBL4087929

COc1ccc2c(c1)c(C(=O)C(=O)Nc1nc(C)c(C)s1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 5/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RGS12 O14924 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2995765 0.94 PLA2G2A (0.46) PLA2G2ASMN1; SMN2RAB9APOLBFAAH
SCHEMBL3001571 0.90 FAAH (0.48) PLA2G2ASMN1; SMN2RAB9APOLBFAAH
SCHEMBL4093527 0.90 FAAH (0.42) SMN1; SMN2RAB9APOLBFAAHMAPT
SCHEMBL4095674 0.88 LMNA (0.43) SMN1; SMN2RAB9APOLBMAPTMEN1
SCHEMBL2996160 0.84 MAPT (0.40) PLA2G2ASMN1; SMN2RAB9APOLBMAPT
SCHEMBL4089993 0.84 KMT2A (0.48) PLA2G2ASMN1; SMN2RAB9AFAAHMAPT
SCHEMBL4098796 0.84 KMT2A (0.46) PLA2G2ASMN1; SMN2RAB9AFAAHMAPT
SCHEMBL3004193 0.83 FAAH (0.56) PLA2G2AFAAHMAPTMEN1KMT2A
SCHEMBL3000056 0.83 FAAH (0.50) SMN1; SMN2RAB9APOLBFAAHMAPT
SCHEMBL2993152 0.82 FAAH (0.47) PLA2G2ASMN1; SMN2RAB9AFAAHMAPT

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
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
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

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 PLA2G2A 3285/4885SMN1; SMN2 3581/4885RAB9A 3562/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G2A 242/4885SMN1; SMN2 4055/4885RAB9A 2477/4885

“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.