SCHEMBL5116099

SCHEMBL5116099

CO/N=C1\CCc2ccc(C(CC(=O)C3CCCN(C(=O)OCc4ccccc4)C3)C(=O)c3ccncc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
PARP1 P09874 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CYP2C9 P11712 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
GRIN2B Q13224 1/20 0.36
BCL9 O00512 3/20 0.35
CTNNB1 P35222 3/20 0.35
MAPK1 P28482 1/20 0.35
TMEM97 Q5BJF2 4/20 0.34
SIGMAR1 Q99720 4/20 0.34
PDE4B Q07343 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL5116104 1.00 HSD11B1 (0.37) HSD11B1PARP1USP30CYP2C9NPC1
SCHEMBL6610559 0.95 PARP1 (0.37) HSD11B1PARP1USP30CYP2C9NPC1
SCHEMBL6610557 0.95 PARP1 (0.37) HSD11B1PARP1USP30CYP2C9NPC1
SCHEMBL5104915 0.86 SMN1; SMN2 (0.43) USP30CYP2C9NPC1RAB9ASMN1; SMN2
SCHEMBL5204449 0.86 SMN1; SMN2 (0.43) USP30CYP2C9NPC1RAB9ASMN1; SMN2
SCHEMBL5117318 0.81 SMN1; SMN2 (0.43) USP30CYP2C9NPC1RAB9ASMN1; SMN2
SCHEMBL5117324 0.81 SMN1; SMN2 (0.43) USP30CYP2C9NPC1RAB9ASMN1; SMN2
SCHEMBL5116166 0.71 APP (0.42) HSD11B1PARP1USP30NPC1RAB9A
SCHEMBL22589283 0.70 CHRM2 (0.51) CYP2C9NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL7672577 0.69 SMN1; SMN2 (0.46) CYP2C9NPC1RAB9ASMN1; SMN2CYP3A4

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-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 US disclosed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 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-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF HSD11B1 3973/4885PARP1 1152/4885USP30 2793/4885

“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.