SCHEMBL5661964

SCHEMBL5661964

O=[N+]([O-])c1cccc(-c2cccc3cc[nH]c23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
IDO1 P14902 1/20 0.47
TDP2 O95551 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 2/20 0.45
PTPRC P08575 1/20 0.45
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL7358169 0.79 PDE4A (0.52) MEN1KMT2ANPC1POLBLMNA
SCHEMBL15712184 0.76 CYP19A1 (0.41) MEN1KMT2ANPC1POLBLMNA
SCHEMBL6797845 0.75 NPC1 (0.54) MEN1KMT2ANPC1POLBLMNA
SCHEMBL1225953 0.75 PGR (0.51) MEN1KMT2ANPC1POLBIDO1
SCHEMBL15712260 0.75 CYP19A1 (0.44) MEN1KMT2ANPC1POLBLMNA
SCHEMBL7088348 0.74 NPC1 (0.49) NPC1
SCHEMBL15596391 0.74 ALDH1A1 (0.47) MEN1KMT2ATSHRMAPTPTPRC
SCHEMBL594405 0.73 AHR (0.50) NPC1MAPT
SCHEMBL5662296 0.73 AHR (0.52) IDO1ALDH1A1
SCHEMBL20552404 0.73 REN (0.45) MEN1KMT2ALMNATSHRMAPT

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
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R MEN1 307/4885KMT2A 1037/4885NPC1 186/4885

“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.