SCHEMBL16296475

SCHEMBL16296475

CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 4/20 0.48
▸ POLQ O75417 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRM5 P08912 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR1H3 Q13133 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PLOD2 O00469 1/20 0.33
▸ PLOD3 O60568 1/20 0.33
▸ PLOD1 Q02809 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL9770531 0.83 NR1H3 (0.49) MLYCDPOLQKDM4EKMT2ASMN1; SMN2
SCHEMBL16296476 0.82 MLYCD (0.49) MLYCDPOLQKDM4EKMT2ACHRM5
SCHEMBL21437132 0.81 MLYCD (0.51) MLYCDPOLQKDM4EKMT2ACHRM5
SCHEMBL2903315 0.80 SMN1; SMN2 (0.38) MLYCDPOLQSMN1; SMN2NR1H3NR1H2
SCHEMBL16296469 0.77 POLQ (0.49) MLYCDPOLQKDM4EKMT2ACHRM5
SCHEMBL12978252 0.76 MLYCD (0.56) MLYCDPOLQKDM4EKMT2ANR1H3
SCHEMBL16883807 0.75 SMN1; SMN2 (0.41) MLYCDKDM4ESMN1; SMN2NR1H3NR1H2
SCHEMBL23060418 0.74 ATF1 (0.37) SMN1; SMN2
SCHEMBL23060401 0.73 RIPK1 (0.35) SMN1; SMN2
SCHEMBL26626027 0.73 ATF1 (0.45) POLQKMT2ASMN1; SMN2

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-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A MLYCD 2375/4885POLQ 750/4885KDM4E 14/4885

“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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