SCHEMBL2115089

SCHEMBL2115089

C[Sn](C)(C)c1ccc(OCCCCl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KCNA3 P22001 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
NR5A1 Q13285 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO1 P15559 1/20 0.36
ADORA2A P29274 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
SCHEMBL11093336 0.82 KCNA3 (0.52) LTA4HL3MBTL1KCNA3KDM4EALDH1A1
SCHEMBL7375092 0.81 LTA4H (0.52) LTA4HL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23804877 0.78 LTA4H (0.59) LTA4HSMN1; SMN2GAANR5A1CYP3A4
SCHEMBL2115755 0.76 LTA4H (0.44) LTA4HSMN1; SMN2GAANR5A1CYP3A4
SCHEMBL2410855 0.76 DRD2 (0.61) L3MBTL1KDM4EALDH1A1DRD2DRD4
SCHEMBL2414300 0.76 MAPT (0.56) L3MBTL1ALDH1A1DRD2DRD4DRD3
SCHEMBL5951811 0.76 NQO1 (0.67) LTA4HKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL12517382 0.75 LTA4H (0.56) LTA4HKCNA3
SCHEMBL11096825 0.75 CYP3A4 (0.52) KCNA3SMN1; SMN2CYP3A4CYP2D6NPC1
SCHEMBL11091678 0.74 KCNA3 (0.57) LTA4HL3MBTL1KCNA3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 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 (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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 LTA4H 250/4885L3MBTL1 1713/4885KCNA3 1066/4885

“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.