SCHEMBL1996216

SCHEMBL1996216

Fc1ccc(Br)cc1CN[C@H]1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
MTOR P42345 2/20 0.40
KDM1A O60341 2/20 0.38
LMNA P02545 2/20 0.37
GBA1 P04062 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.37
TBXA2R P21731 1/20 0.37
HRH2 P25021 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PABPC1 P11940 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
SCHEMBL1996219 1.00 PARP1 (0.42) PARP1MTORKDM1ALMNAGBA1
SCHEMBL19175745 0.76 PARP1 (0.36) PARP1MTORLMNAGBA1CYP1A2
SCHEMBL23124871 0.71 KDM1A (0.57) KDM1ALMNAGBA1CYP1A2CYP2D6
SCHEMBL6912399 0.70 SLC6A4 (0.45) SLC6A4KCNH2
SCHEMBL375509 0.69 PARP1 (0.44) PARP1MTORCYP2D6KCNH2PDCD1
SCHEMBL374926 0.69 PARP1 (0.43) PARP1KDM1ACYP2D6CYP3A4MEN1
SCHEMBL32675243 0.68 CYP2A13 (0.44) CYP2D6SLC6A4KCNH2PDCD1CD274
SCHEMBL32675241 0.68 CYP2A13 (0.44) CYP2D6SLC6A4KCNH2PDCD1CD274
SCHEMBL3695387 0.68 MEN1 (0.54) KDM1AMEN1KMT2A
SCHEMBL3695388 0.68 MEN1 (0.54) KDM1AMEN1KMT2A

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-7960560-B2 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE 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-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE OPRM1, OR10J3, OPRD1 PARP1 3676/4885MTOR 3671/4885KDM1A 1366/4885

“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.