SCHEMBL1492377

SCHEMBL1492377

O=c1n(CCCl)c2ccccc2n1C1=CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
HTR7 P34969 6/20 0.39
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
PARG Q86W56 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3648904 0.96 LMNA (0.48) LMNAMAPTHTR7ALDH1A1PRKCA
SCHEMBL20371571 0.83 LMNA (0.46) LMNAMAPTALDH1A1PARG
SCHEMBL14487357 0.80 APEX1 (0.56) LMNAMAPTGAAALDH1A1
SCHEMBL15730254 0.79 LMNA (0.49) LMNAMAPTUSP2NPSR1GAA
SCHEMBL1186445 0.78 HTR7 (0.58) HTR7
SCHEMBL8129587 0.74 LMNA (0.54) LMNAMAPTALDH1A1
SCHEMBL11811721 0.74 APEX1 (0.50) LMNAGAAALDH1A1PRKCAGSK3B
SCHEMBL15723841 0.72 LMNA (0.46) LMNAMAPT
SCHEMBL4750197 0.72 LMNA (0.41) LMNAMAPTHTR7PARG
Hydrochloric Acid SCHEMBL4290934 0.71 PARP1 (0.35) LMNAMAPTHTR7GAAALDH1A1

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-20120220604-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-08-30 US disclosed
WO-2011032903-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-24 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-20120220604-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 LMNA 4383/4885MAPT 704/4885HTR7 61/4885

“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.