SCHEMBL6338256

SCHEMBL6338256

COc1cc2ccncc2c([N+](=O)[O-])c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.64
HASPIN Q8TF76 5/20 0.46
DAPK3 O43293 1/20 0.46
PLK1 P53350 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PLK2 Q9NYY3 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
BRCA1 P38398 1/20 0.44
HNF4A P41235 1/20 0.44
HIF1A Q16665 1/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL3247027 0.79 MAOA (1.00) MAOAGSK3BMAPTCYP3A4
SCHEMBL15495283 0.77 MAOA (0.78) MAOAMCL1PKMGSK3BKDM4E
SCHEMBL27986068 0.74 MCL1 (0.45) MAOAMCL1SMN1; SMN2PKMLMNA
SCHEMBL3609606 0.74 HASPIN (0.56) MAOAHASPINDAPK3PLK1PLK3
SCHEMBL5657418 0.72 MAOA (0.49) MAOAHASPINDAPK3PLK1PLK3
SCHEMBL28187533 0.72 SYK (0.56) SMN1; SMN2PKMMEN1KMT2A
SCHEMBL27986419 0.71 MCL1 (0.43) MAOAMCL1SMN1; SMN2PKMLMNA
SCHEMBL30833892 0.71 PKM (0.53) MCL1SMN1; SMN2PKMLMNAMEN1
SCHEMBL30166025 0.71 PKM (0.53) MCL1SMN1; SMN2PKMLMNAMEN1
SCHEMBL27803052 0.71 PKM (0.53) MCL1SMN1; SMN2PKMLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903114-B2 Derivatives of naphthalene with COMT inhibiting activity ORION CORPORATION (FI) 2005-06-07 US disclosed
US-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity ORION CORPORATION (FI) 2004-02-19 US disclosed
EP-1317411-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-06-11 EP disclosed
WO-2002022551-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-03-21 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 (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-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity COMT, CYP1A1, CYP1B1 MAOA 27/4885HASPIN 4807/4885DAPK3 4699/4885

“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.