SCHEMBL18823955

SCHEMBL18823955

COC(=O)c1nn(C2CCCCO2)c2ccc(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GAA P10253 6/20 0.39
HTT P42858 3/20 0.39
ATR Q13535 1/20 0.38
MAPT P10636 5/20 0.37
ELANE P08246 5/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL16125889 0.89 ELANE (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31005998 0.89 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14792743 0.88 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL16881036 0.88 CNR2 (0.39) RXRARXRBRXRGATRMAPT
SCHEMBL29593200 0.88 ELANE (0.51) RXRARXRBRXRGHTTATR
SCHEMBL6502931 0.88 ELANE (0.51) RXRARXRBRXRGHTTATR
SCHEMBL31006023 0.85 ELANE (0.53) RXRARXRBRXRGHTTELANE
SCHEMBL31078730 0.85 ATR (0.37) RXRARXRBRXRGATRELANE
SCHEMBL29526337 0.85 ELANE (0.49) HTR3AATRELANESMN1; SMN2KDM4E
SCHEMBL16099889 0.83 RXRA (0.38) HTR3ACYP4F2CYP4A11RXRARXRB

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-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-04 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-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR3A 3560/4885CYP4F2 751/4885CYP4A11 765/4885

“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.