SCHEMBL16858668

SCHEMBL16858668

CN(C)C(On1nnc2ccc(C(F)(F)F)cc21)=[N+](C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC3 O15379 4/20 0.36
▸ HDAC4 P56524 4/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC7 Q8WUI4 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ HDAC10 Q969S8 4/20 0.36
▸ HDAC11 Q96DB2 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC9 Q9UKV0 4/20 0.36
▸ HDAC5 Q9UQL6 4/20 0.36
▸ KCNMA1 Q12791 2/20 0.33

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
SCHEMBL26185908 0.96 PKM (0.39) PKMKDM4ELMNAALOX15MAPK1
SCHEMBL29551956 0.81 KMT2A (0.41) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL526205 0.81 KMT2A (0.41) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15771522 0.80 KMT2A (0.40) KDM4ELMNAHDAC3HDAC4HDAC1
SCHEMBL1069721 0.80 KMT2A (0.40) KDM4ELMNAHDAC3HDAC4HDAC1
SCHEMBL16322925 0.80 KMT2A (0.40) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL29467313 0.80 KMT2A (0.40) KDM4ELMNAHDAC3HDAC4HDAC1
SCHEMBL19894763 0.80 KMT2A (0.40) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15771526 0.80 KMT2A (0.40) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL29350952 0.80 KMT2A (0.40) LMNAHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 — — 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-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS SAMHD1, TYMP, PNP PKM 752/4885KDM4E 3342/4885LMNA 2435/4885

“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.

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