SCHEMBL4897672

SCHEMBL4897672

COc1nc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C(=O)OC(C)(C)C)n1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ELOVL1 Q9BW60 1/20 0.38
LMNA P02545 2/20 0.38
HDAC4 P56524 1/20 0.38
DGAT1 O75907 2/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.36
IDO1 P14902 1/20 0.36
HDAC1 Q13547 2/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4747643 0.90 FFAR2 (0.44) FFAR2ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL4885880 0.82 CNR1 (0.39) ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL3441524 0.79 RECQL (0.45) FFAR2ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL4786438 0.78 CNR1 (0.43) ALDH1A1LMNAMAPTHDAC1L3MBTL1
SCHEMBL4897158 0.75 MAPT (0.41) ALDH1A1NPSR1LMNAMAPT
SCHEMBL4894672 0.74 MAPK14 (0.34) SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL4892358 0.71 MAPK1 (0.45) ALDH1A1GAALMNAMAPTL3MBTL1
SCHEMBL14020621 0.70 KDM4E (0.34) SMN1; SMN2LMNAMAPT
SCHEMBL4891117 0.70 ENPP2 (0.40) MAPT
SCHEMBL4896089 0.69 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2GAANPSR1MAPT

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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US claimed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 FFAR2 62/4885ALDH1A1 2271/4885SMN1; SMN2 919/4885

“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.