SCHEMBL4295561

SCHEMBL4295561

C1=Cc2ccccc2C2C=C(NC3CCCCC3)SC2=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL4283743 0.81 GALR2 (0.36) MAPTNPC1RAB9A
SCHEMBL6835993 0.75 KDM4E (0.30) KDM4EHSD17B10
SCHEMBL4958308 0.71 HTR2A (0.33)
SCHEMBL4287880 0.62 HTR2A (0.32)
SCHEMBL4063453 0.61 HTR2A (0.31)
SCHEMBL4295979 0.61 HTR2A (0.31)
SCHEMBL4295558 0.60 KDM4E (0.33) KDM4EGAAMAPTBCHEACHE
SCHEMBL20336230 0.57 KDM4E (0.73) KDM4EGAAMAPTBCHEACHE
SCHEMBL29449726 0.57 KDM4E (0.73) KDM4EGAAMAPTBCHEACHE
SCHEMBL11523761 0.57 KDM4E (0.73) KDM4EGAAMAPTBCHEACHE

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-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R KDM4E 2037/4885GAA 2226/4885MAPT 4603/4885

“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.