SCHEMBL840106

SCHEMBL840106

O=C(CNCc1ccc(-c2ccc(F)c(CN3CCCCC3)n2)c(F)c1)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.43
NPC1 O15118 1/20 0.38
ACKR3 P25106 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
ACP1 P24666 1/20 0.37
CCR3 P51677 1/20 0.37
TERT O14746 1/20 0.36

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
SCHEMBL838858 0.74 ALDH1A1 (0.47) ALDH1A1DYRK1AHRH3HTTACP1
SCHEMBL840636 0.73 ACP1 (0.39) ALDH1A1HTTACP1
SCHEMBL839781 0.71 ENPP2 (0.41) ALDH1A1HRH3HTTACP1
SCHEMBL11304376 0.64 LMNA (0.69) SIGMAR1NPC1ALDH1A1KMT2A
SCHEMBL1815400 0.62 ALDH1A1 (0.58) SIGMAR1NPC1ALDH1A1HTTKMT2A
SCHEMBL4040184 0.62 SIGMAR1 (0.74) SIGMAR1L3MBTL1
SCHEMBL8023864 0.60 SIGMAR1 (1.00) SIGMAR1CCR3
Hydrochloric Acid SCHEMBL6370414 0.60 SIGMAR1 (0.55) SIGMAR1KMT2A
SCHEMBL6328866 0.60 SIGMAR1 (0.70) SIGMAR1ALDH1A1CCR3
SCHEMBL24263805 0.59 HDAC6 (0.51) ACP1

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-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 SIGMAR1 50/4885NPC1 4206/4885ACKR3 449/4885

“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.