SCHEMBL4396197

SCHEMBL4396197

COc1ccc(C(=O)NCC2CCC(CNC(=O)NCC3CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CXCR3 P49682 2/20 0.58
MMP13 P45452 1/20 0.58
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
PKM P14618 1/20 0.52
MAPK14 Q16539 2/20 0.52
MDM2 Q00987 1/20 0.52
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
PLK1 P53350 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL11757383 0.95 SMN1; SMN2 (0.64) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL11760297 0.95 SMN1; SMN2 (0.64) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL4005112 0.92 MAPK14 (0.55) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL4012546 0.91 MAPK14 (0.56) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL483633 0.87 CXCR3 (0.58) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL483635 0.87 CXCR3 (0.58) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
Hydrochloric Acid SCHEMBL27583097 0.85 HTR4 (0.60) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL16931482 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL5525221 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13
SCHEMBL11762802 0.83 ALDH1A1 (0.60) SMN1; SMN2HPGDL3MBTL1CXCR3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 SMN1; SMN2 4702/4885HPGD 1028/4885L3MBTL1 2621/4885

“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.