SCHEMBL8246358

SCHEMBL8246358

N#Cc1ccc([N+](=O)[O-])c(NCCCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.58
RAB9A P51151 1/20 0.51
GSTM2 P28161 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
VCAM1 P19320 1/20 0.44
PRSS1 P07477 2/20 0.42

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
SCHEMBL7371227 0.91 RAB9A (0.61) KAT2BRAB9AMAPTALDH1A1LMNA
SCHEMBL6214461 0.90 KAT2B (0.73) KAT2BRAB9AGSTM2MAPTALDH1A1
SCHEMBL6220073 0.88 KAT2B (0.71) KAT2BRAB9AGSTM2MAPTALDH1A1
SCHEMBL6218547 0.85 KAT2B (0.74) KAT2BRAB9AGSTM2MAPTALDH1A1
SCHEMBL762635 0.85 KAT2B (0.60) KAT2BRAB9AMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL515537 0.84 KAT2B (0.81) KAT2BRAB9AMAPTLMNAPKM
SCHEMBL740421 0.82 KAT2B (0.56) KAT2BRAB9AMAPTALDH1A1LMNA
SCHEMBL28493360 0.81 KAT2B (0.55) KAT2BRAB9AMAPTALDH1A1LMNA
SCHEMBL112161 0.80 KAT2B (0.70) KAT2BRAB9AMAPTALDH1A1LMNA
SCHEMBL29519350 0.80 KAT2B (0.70) KAT2BRAB9AMAPTALDH1A1LMNA

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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 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 (2 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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A KAT2B 3155/4885RAB9A 3603/4885GSTM2 1222/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A KAT2B 3155/4885RAB9A 3603/4885GSTM2 1222/4885

“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.