SCHEMBL2777482

SCHEMBL2777482

Cc1cc2c(/C=C/C(=O)O)cccn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TBXAS1 P24557 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL2777485 1.00 NFKB1 (0.41) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL10257389 0.83 TTR (0.45) CA1CA2L3MBTL1CCNCCDK8
SCHEMBL544120 0.83 TTR (0.45) CA1CA2L3MBTL1CCNCCDK8
SCHEMBL9732465 0.82 MEN1 (0.46) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL543144 0.79 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2778475 0.74 NFKB1 (0.41) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL2778470 0.74 NFKB1 (0.41) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL9731862 0.73 MEN1 (0.38) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL31197561 0.66 NFKB1 (0.75) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL459291 0.66 NFKB1 (0.75) NFKB1CA1CA2CA4SMN1; SMN2

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 NFKB1 2263/4885CA1 2112/4885CA2 2157/4885

“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.