SCHEMBL6159335

SCHEMBL6159335

O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
POLB P06746 2/20 0.65
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
CTNNB1 P35222 1/20 0.50
USP2 O75604 1/20 0.50
ATM Q13315 1/20 0.50
PLK1 P53350 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2394331 0.82 NPC1 (0.69) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL27540201 0.75 CRHBP (0.50) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL6160806 0.75 MAPT (0.50) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL6202919 0.75 MEN1 (0.61) MAPTPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL26083579 0.75 MEN1 (0.64) MAPTPOLBRAB9AALDH1A1MEN1
SCHEMBL11133530 0.75 PKM (0.64) ALDH1A1SMN1; SMN2ACHEMEN1KMT2A
SCHEMBL6201392 0.75 KMT2A (0.58) MAPTPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL6321927 0.74 ALOX5 (0.62) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8064713 0.74 NPC1 (0.62) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL27597238 0.74 TRPV1 (0.48) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339694-B1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
EP-1339694-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS SYNTEX (U.S.A.) LLC 2002-07-11 US disclosed
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 US disclosed
WO-2002040453-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 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-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS PTGER1, FFAR1, BDKRB1 MAPT 4409/4885POLB 4440/4885RAB9A 3379/4885

“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.