SCHEMBL2779586

SCHEMBL2779586

Cc1cn2c(/C=C/C(=O)O)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
HDAC1 Q13547 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
LMNA P02545 5/20 0.39
NPC1 O15118 4/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.36
HCAR2 Q8TDS4 2/20 0.36
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL2779593 1.00 TBXAS1 (0.41) TBXAS1HDAC1SMN1; SMN2RAB9ALMNA
SCHEMBL543639 0.82 GAA (0.46) SMN1; SMN2RAB9ALMNANPC1MAPK1
SCHEMBL10257281 0.82 GAA (0.46) SMN1; SMN2RAB9ALMNANPC1MAPK1
SCHEMBL2779451 0.80 TBXAS1 (0.39) TBXAS1HDAC1SMN1; SMN2RAB9ALMNA
SCHEMBL2779454 0.80 TBXAS1 (0.39) TBXAS1HDAC1SMN1; SMN2RAB9ALMNA
SCHEMBL543641 0.75 GAA (0.39) TBXAS1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL543640 0.75 GAA (0.39) TBXAS1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL2775804 0.73 EGLN2 (0.42) TBXAS1HDAC1SMN1; SMN2LMNAMAPK1
SCHEMBL2775808 0.73 EGLN2 (0.42) TBXAS1HDAC1SMN1; SMN2LMNAMAPK1
SCHEMBL21816403 0.73 TGFBR1 (0.44) HDAC1SMN1; SMN2RAB9ANPC1HTT

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 TBXAS1 514/4885HDAC1 808/4885SMN1; SMN2 1317/4885

“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.