SCHEMBL3117262

SCHEMBL3117262

Cc1cc(C(N)=O)ccc1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
PARP1 P09874 5/20 0.46
RORC P51449 1/20 0.41
HCAR3 P49019 1/20 0.40
LCK P06239 1/20 0.40
BRD4 O60885 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRPF1 P55201 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP10 Q53GL7 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PARP2 Q9UGN5 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
SCHEMBL3114630 0.85 MAPT (0.46) GAAMAPTMAPK1PARP1LCK
SCHEMBL6518294 0.84 MAPT (0.53) GAAMAPTMAPK1PARP1HCAR3
SCHEMBL2120103 0.82 HCAR3 (0.57) GAAMAPTMAPK1HCAR3KDM4E
SCHEMBL15075229 0.82 MAPT (0.47) GAAMAPTMAPK1HCAR3KDM4E
SCHEMBL30503466 0.79 GAA (0.49) GAAMAPTMAPK1PARP1RORC
SCHEMBL23693239 0.78 GAA (0.50) GAAMAPTMAPK1HCAR3KDM4E
SCHEMBL1002832 0.77 PRSS1 (0.61) MAPTMAPK1PARP1LCKALDH1A1
SCHEMBL29503140 0.77 PRSS1 (0.61) MAPTMAPK1PARP1LCKALDH1A1
SCHEMBL3287497 0.77 MAPK1 (0.55) GAAMAPTMAPK1PARP1RORC
SCHEMBL10355547 0.77 NPC1 (0.58) GAAMAPTMAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG GAA 3774/4885MAPT 3259/4885MAPK1 1408/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG GAA 3774/4885MAPT 3259/4885MAPK1 1408/4885

“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.