SCHEMBL4821056

SCHEMBL4821056

CN(C)c1cc(-c2cccc(Cl)c2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 4/20 0.49
OPRK1 P41145 1/20 0.49
MEN1 O00255 3/20 0.48
ELANE P08246 2/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
EIF4A1 P60842 1/20 0.45
ACP1 P24666 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PSD A5PKW4 1/20 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
SCHEMBL4820926 0.86 ABCG2 (0.51) MAPTALDH1A1TDP1THRBKMT2A
SCHEMBL4823939 0.80 KMT2A (0.49) MAPTKMT2AMEN1NPC1CYP1A2
SCHEMBL4821618 0.80 ACP1 (0.47) MAPTALDH1A1KMT2AMEN1ACP1
SCHEMBL4816004 0.76 ACP1 (0.44) ACP1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL5349695 0.75 ACP1 (0.43) ACP1SMN1; SMN2
SCHEMBL6534272 0.74 ELANE (0.64) NPBWR1MAPTALDH1A1TDP1THRB
SCHEMBL4822245 0.73 ACP1 (0.47) ACP1
SCHEMBL5740351 0.73 ABCG2 (0.54) MAPTALDH1A1TDP1THRBKMT2A
SCHEMBL6602932 0.73 ALDH1A1 (0.47) MAPTALDH1A1KMT2AOPRK1MEN1
SCHEMBL6599742 0.72 ALDH1A1 (0.46) MAPTALDH1A1KMT2AOPRK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 US disclosed
US-20040077644-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-04-22 US disclosed
EP-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036567-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 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 (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-20040077644-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A NPBWR1 276/4885MAPT 2374/4885ALDH1A1 3302/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G NPBWR1 251/4885MAPT 2113/4885ALDH1A1 3919/4885

“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.