SCHEMBL2775804

SCHEMBL2775804

Cc1nc2cccc(/C=C/C(=O)O)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.42
HCAR2 Q8TDS4 2/20 0.36
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TBXAS1 P24557 2/20 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
SCHEMBL2775808 1.00 EGLN2 (0.42) EGLN2HCAR2HDAC3TNKSHDAC4
SCHEMBL543911 0.82 CA12 (0.43) EGLN2ALDH1A1GAAL3MBTL1LMNA
SCHEMBL10257434 0.82 CA12 (0.43) EGLN2ALDH1A1GAAL3MBTL1LMNA
SCHEMBL10290079 0.79 EGLN2 (0.40) EGLN2ALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL543912 0.75 EGLN2 (0.39) EGLN2ALDH1A1GAASMN1; SMN2TBXAS1
SCHEMBL543913 0.75 EGLN2 (0.39) EGLN2ALDH1A1GAASMN1; SMN2TBXAS1
SCHEMBL2779593 0.73 TBXAS1 (0.41) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL2779586 0.73 TBXAS1 (0.41) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL543707 0.73 EGLN2 (0.47) EGLN2HDAC4HDAC1HDAC7HDAC8
Formamide SCHEMBL28532491 0.67 EGLN2 (0.43) EGLN2

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 EGLN2 176/4885HCAR2 324/4885HDAC3 500/4885

“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.