SCHEMBL473560

SCHEMBL473560

NC1CCC(NC(=O)CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 13/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
CCR2 P41597 1/20 0.40
KMT2A Q03164 2/20 0.39
EPHX1 P07099 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL473561 1.00 SMYD3 (0.50) SMYD3SMN1; SMN2CCR2KMT2AEPHX1
Hydrochloric Acid SCHEMBL13275803 0.98 SMYD3 (0.49) SMYD3SMN1; SMN2CCR2KMT2AEPHX1
Hydrochloric Acid SCHEMBL13275804 0.98 SMYD3 (0.49) SMYD3SMN1; SMN2CCR2KMT2AEPHX1
SCHEMBL2093857 0.89
SCHEMBL19706964 0.81 SMYD3 (0.49) SMYD3SMN1; SMN2KMT2ALMNA
SCHEMBL3402825 0.81 SMYD3 (0.57) SMYD3SMN1; SMN2CCR2
SCHEMBL14391779 0.81 SMYD3 (0.57) SMYD3SMN1; SMN2CCR2
SCHEMBL23573599 0.80 ALDH1A1 (0.44) SMYD3SMN1; SMN2KMT2AEPHX1HPGD
SCHEMBL23573598 0.80 ALDH1A1 (0.44) SMYD3SMN1; SMN2KMT2AEPHX1HPGD
SCHEMBL2096797 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO claimed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US 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-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 SMYD3 1933/4885SMN1; SMN2 2712/4885CCR2 2276/4885

“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.