SCHEMBL805504

SCHEMBL805504

CCc1ccnc(C(=O)N2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 6/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CSF1R P07333 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
PTK2 Q05397 1/20 0.42
CNR2 P34972 1/20 0.42
GNE Q9Y223 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
SLC6A7 Q99884 1/20 0.41
NOS3 P29474 1/20 0.41

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
SCHEMBL11919148 0.87 CFTR (0.45) SMYD3L3MBTL1HPGDCSF1RPTK2
SCHEMBL11918962 0.87 SMN1; SMN2 (0.49) SMYD3HPGDALDH1A1CSF1RNPC1
SCHEMBL22972377 0.86 SMYD3 (0.49) SMYD3L3MBTL1HPGDCSF1RNPC1
SCHEMBL15621622 0.80 PDE10A (0.54) L3MBTL1HPGDALDH1A1CSF1RNPC1
SCHEMBL30957394 0.78 NPC1 (0.50) L3MBTL1POLBHPGDALDH1A1NPC1
SCHEMBL2677778 0.77 SMYD3 (0.54) SMYD3L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL15243007 0.76 L3MBTL1 (0.49) L3MBTL1POLBHPGDALDH1A1NPC1
SCHEMBL3183579 0.76 NPC1 (0.51) L3MBTL1HPGDALDH1A1NPC1RAB9A
SCHEMBL3432861 0.76 ALDH1A1 (0.56) L3MBTL1HPGDALDH1A1KDM4ENPC1
SCHEMBL883721 0.76 L3MBTL1 (0.45) L3MBTL1HPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SMYD3 2447/4885L3MBTL1 1325/4885POLB 3355/4885

“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.