SCHEMBL6305447

SCHEMBL6305447

CN1CCN(c2cccc3ccc(Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.52
KMT2A Q03164 6/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIRT6 Q8N6T7 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
GFER P55789 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
SCHEMBL6307926 0.89 SIRT6 (0.52) WDR5KMT2AMAPTMEN1MAPK1
SCHEMBL9053159 0.84 WDR5 (0.48) WDR5KMT2ASMN1; SMN2ALDH1A1SIRT6
SCHEMBL6305795 0.81 KMT2A (0.58) WDR5KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL6308059 0.79 GABRP (0.48) MAPTMAPK1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6313812 0.77 WDR5 (0.60) WDR5KMT2AMAPTMEN1ALDH1A1
SCHEMBL6313939 0.76 WDR5 (0.54) WDR5KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3313887 0.72 GAA (0.72) KMT2AMAPTMEN1MAPK1TDP1
SCHEMBL2649948 0.72 MAPT (0.51) KMT2AMAPTMEN1MAPK1TDP1
SCHEMBL9058689 0.71 HTR1A (0.64) WDR5HTR1AHTR1DHTR1B
SCHEMBL19350802 0.71 MAPT (0.69) KMT2AMAPTMEN1MAPK1TDP1

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 2512/4885MAPT 4350/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 WDR5 1405/4885KMT2A 3180/4885MAPT 4230/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 WDR5 2600/4885KMT2A 2326/4885MAPT 4538/4885

“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.