SCHEMBL839176

SCHEMBL839176

CC1CCCN(Cc2nc(Br)ccc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 6/20 0.38
GAA P10253 1/20 0.38
PDE2A O00408 2/20 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
SCHEMBL840714 0.85 PDE2A (0.38) ALDH1A1LMNAKDM4EHRH3PDE2A
SCHEMBL2476534 0.82 TRPV3 (0.44) ALDH1A1LMNAKDM4EPOLBTAAR1
SCHEMBL840936 0.81 AVPR1B (0.34) ALDH1A1LMNAKDM4EPDE2A
SCHEMBL838762 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2CYP2C19
SCHEMBL840728 0.76 LMNA (0.53) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL840943 0.74 HDAC4 (0.34)
SCHEMBL18022511 0.72 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL839362 0.72 ADORA2A (0.36) ALDH1A1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL840171 0.72 KDM4E (0.54) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL15084370 0.72 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EPOLBSMN1; 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 4 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
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 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 (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 ALDH1A1 3782/4885LMNA 4725/4885KDM4E 2573/4885

“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.