SCHEMBL2779083

SCHEMBL2779083

Cn1cc2c(/C=C/C(=O)O)c(Cl)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.36
PTGER1 P34995 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL2779086 1.00 L3MBTL1 (0.44) L3MBTL1ATMGAAALDH1A1PKM
SCHEMBL2779826 0.83 GAA (0.40) L3MBTL1ATMGAAALDH1A1PKM
SCHEMBL2779825 0.83 GAA (0.40) L3MBTL1ATMGAAALDH1A1PKM
SCHEMBL13705670 0.83 NPC1 (0.42) L3MBTL1ATMGAAALDH1A1PKM
SCHEMBL10257517 0.82 CA12 (0.40) L3MBTL1MAOBNPC1RAB9AMAPT
SCHEMBL544334 0.79 ALDH1A1 (0.38) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL2778049 0.77 NPC1 (0.45) ATMGAAALDH1A1PKMMEN1
SCHEMBL2778053 0.77 NPC1 (0.45) ATMGAAALDH1A1PKMMEN1
SCHEMBL543225 0.76 MTNR1A (0.36) ATMALDH1A1MEN1KMT2AMAOA
SCHEMBL543226 0.76 MTNR1A (0.36) ATMALDH1A1MEN1KMT2AMAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH L3MBTL1 3605/4885ATM 3692/4885GAA 3263/4885

“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.