SCHEMBL18329403

SCHEMBL18329403

CC(C)(C)OC(=O)NCC(=O)OCC(=O)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADRB2 P07550 4/20 0.40
ADRB1 P08588 4/20 0.40
ADRB3 P13945 4/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29015992 0.78 SIGMAR1 (0.46) IDO1BCHE
SCHEMBL18329401 0.78 KDM4E (0.42) NPC1RAB9AALDH1A1HPGDADRB2
SCHEMBL21509980 0.77 BCHE (0.44) NPC1RAB9ACTSSCTSKIDO1
SCHEMBL24672519 0.77 TDP1 (0.48) BCHE
SCHEMBL38663029 0.76 GRM4 (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL21645721 0.75 MAPT (0.40) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL21645720 0.75 MAPT (0.40) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL21645653 0.75 CTSS (0.44) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL21645651 0.75 CTSS (0.44) CASP3SENP7SENP6PTPN1ERCC5
SCHEMBL18329404 0.74 ALDH1A1 (0.59) PTPN1NPC1RAB9AALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426784-B2 Imidazodiazepine compound ASTELLAS PHARMA INC. (JP) 2019-10-01 US disclosed
EP-3312181-B1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC (JP) 2019-08-07 EP disclosed
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 US disclosed
EP-3312181-A1 IMIDAZODIAZEPINE COMPOUND Astellas Pharma Inc. (JP) 2018-04-25 EP disclosed
WO-2016204268-A1 IMIDAZODIAZEPINE COMPOUND アステラス製薬株式会社 2016-12-22 WO 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 (2 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-20180185383-A1 IMIDAZODIAZEPINE COMPOUND HTR1D, DRD2, DRD1 CASP3 4022/4885SENP7 4086/4885SENP6 4433/4885
US-10426784-B2 Imidazodiazepine compound GRIN2D, HTR1D, DRD2 CASP3 4119/4885SENP7 4280/4885SENP6 4604/4885

“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.