SCHEMBL1733287

SCHEMBL1733287

O=C(C(=O)N1CCN(/C(=N\c2ccccc2)c2ccccc2)CC1)c1c[nH]c2cccc(F)c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1733289 1.00 POLB (0.43) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL12151916 1.00 POLB (0.43) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL12151876 0.91 POLB (0.41) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL14883422 0.90 POLB (0.45) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL12151879 0.90 POLB (0.45) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL12151979 0.88 POLB (0.43) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL12151927 0.86 POLB (0.42) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL12151951 0.86 POLB (0.42) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL14122623 0.85 POLB (0.41) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL4247829 0.85 CYP2C9 (0.52) POLBLMNAKDM4EALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943221-B1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 POLB 1296/4885LMNA 4618/4885KDM4E 1588/4885

“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.