SCHEMBL6313812

SCHEMBL6313812

CN1CCN(c2cccc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
POLB P06746 3/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 1/20 0.55
MCL1 Q07820 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL6313939 0.93 WDR5 (0.54) WDR5KMT2AMEN1NPC1RAB9A
SCHEMBL6308769 0.85 NPC1 (0.60) WDR5KMT2ANPC1RAB9APOLB
SCHEMBL6308881 0.84 WDR5 (0.55) WDR5KMT2AMEN1NPC1RAB9A
SCHEMBL6305515 0.83 RAB9A (0.70) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL6308941 0.81 NPC1 (0.55) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL6305578 0.81 MAPK14 (0.57) NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6308232 0.81 RAB9A (0.55) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5910711 0.81 MAPT (0.66) NPC1RAB9APOLBMAPT
SCHEMBL9053159 0.79 WDR5 (0.48) WDR5KMT2APOLBGAAALDH1A1
SCHEMBL6312754 0.79 RAB9A (0.63) KMT2ANPC1RAB9APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080090-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2005-04-14 US disclosed
US-20020058811-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2002-05-16 US disclosed
US-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives CHENARD BERTRAND L (US) 2001-06-21 US disclosed
EP-0689536-B1 NAPHTHALENE DERIVATIVES PFIZER (US) 2001-05-23 EP disclosed
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP disclosed
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US disclosed
EP-0701819-A2 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1996-03-20 EP disclosed
EP-0689536-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-03 EP disclosed
WO-1994021619-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1994-09-29 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 (3 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-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives HTR4, HCRTR2, CNR2 WDR5 1814/4885KMT2A 2512/4885MEN1 2395/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 WDR5 1405/4885KMT2A 3180/4885MEN1 1146/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 WDR5 2600/4885KMT2A 2326/4885MEN1 1856/4885

“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.