SCHEMBL2992546

SCHEMBL2992546

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.43
FAAH O00519 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 2/20 0.40
GSK3B P49841 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 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
GNAI1 P63096 1/20 0.38
PMP22 Q01453 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
SCHEMBL3001645 0.92 LMNA (0.40) FAAHMAPTKMT2AMEN1ALDH1A1
SCHEMBL3007840 0.91 TSHR (0.42) FAAHMAPTKMT2AMEN1ALDH1A1
SCHEMBL3009432 0.91 PLA2G2A (0.42) PLA2G2AFAAHPTGDR2KMT2AMEN1
SCHEMBL4095857 0.89 PLA2G2A (0.42) PLA2G2AFAAHPTGDR2MAPTGSK3B
SCHEMBL3001471 0.89 FAAH (0.54) PLA2G2AFAAHMAPTKMT2AMEN1
SCHEMBL3001437 0.88 FAAH (0.49) FAAHPTGDR2MAPTKMT2AMEN1
SCHEMBL2993152 0.88 FAAH (0.47) PLA2G2AFAAHMAPTGSK3BKMT2A
SCHEMBL3001524 0.88 PLA2G2A (0.46) PLA2G2AFAAHMAPTKMT2AMEN1
SCHEMBL4089993 0.87 KMT2A (0.48) PLA2G2AFAAHMAPTKMT2AMEN1
SCHEMBL4098796 0.87 KMT2A (0.46) PLA2G2AFAAHMAPTKMT2AMEN1

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 4 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

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 3285/4885FAAH 109/4885PTGDR2 68/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G2A 242/4885FAAH 1/4885PTGDR2 47/4885

“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.