SCHEMBL9926528

SCHEMBL9926528

Cc1ccccc1NCCC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
HTT P42858 2/20 0.62
POLB P06746 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL5969045 0.91 MAPT (0.60) MAPTHTTPOLBNPC1RAB9A
SCHEMBL11558469 0.84 MAPT (0.64) MAPTHTTPOLBNPC1RAB9A
SCHEMBL3205146 0.84 ITGB3 (0.66) MAPTHTTPOLBNPC1RAB9A
SCHEMBL31139405 0.84 ITGB3 (0.66) MAPTHTTPOLBNPC1RAB9A
SCHEMBL19240428 0.83 MAPT (0.42) MAPTHTTPOLBNPC1RAB9A
SCHEMBL9926529 0.83 MAPT (0.58) MAPTHTTNPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL10912163 0.82 ITGB3 (0.64) MAPTHTTPOLBNPC1RAB9A
SCHEMBL4572861 0.81 MAPT (0.55) MAPTHTTPOLBNPC1RAB9A
SCHEMBL23189083 0.81 MAPT (0.60) MAPTHTTPOLBNPC1RAB9A
SCHEMBL13948837 0.81 MAPT (0.60) MAPTHTTPOLBNPC1RAB9A

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
CN-116940571-A Benzisoxazole derivative and use thereof 诺华股份有限公司 2023-10-24 CN disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MAPT 582/4885HTT 82/4885POLB 2312/4885

“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.