SCHEMBL3548512

SCHEMBL3548512

CC(=O)c1cnc2n1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MGLL Q99685 2/20 0.39
RAB9A P51151 2/20 0.37
AR P10275 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10185312 0.84 SLC27A1 (0.47) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL21816391 0.83 SLC27A1 (0.49) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL30014435 0.83 SLC27A1 (0.46) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL31032248 0.83 LMNA (0.49) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL24927797 0.82 SLC27A1 (0.44) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL20223639 0.82 SLC27A1 (0.44) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL10185310 0.79 AR (0.42) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL20347029 0.79 SLC27A1 (0.44) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL21818736 0.77 SLC27A1 (0.44) SLC27A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL10185314 0.77 MAPK1 (0.43) SLC27A1MAPK1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155341-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-06-07 US disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A SLC27A1 3792/4885MAPK1 390/4885LMNA 2017/4885
US-20180155341-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 SLC27A1 2902/4885MAPK1 3763/4885LMNA 3020/4885

“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.