SCHEMBL6499310

SCHEMBL6499310

O=C(O)NCCCC(Oc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.48
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 5/20 0.41
TBXA2R P21731 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 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
SCHEMBL27497725 0.85 NOS2 (0.53) NOS2RAB9AMEN1KMT2ALMNA
SCHEMBL6504145 0.83 NOS2 (0.69) NOS2MEN1KMT2ALMNATP53
Hydrochloric Acid SCHEMBL6501942 0.82 NOS2 (0.67) NOS2MEN1KMT2ALMNATP53
SCHEMBL6499305 0.79 SLC6A9 (0.52) NOS2MEN1KMT2ALMNAALDH1A1
SCHEMBL5280203 0.74 SLC6A2 (0.64) NOS2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6499052 0.70 SLC6A4 (0.54) NOS2MEN1KMT2ALMNATP53
SCHEMBL6499048 0.70 SLC6A4 (0.54) NOS2MEN1KMT2ALMNATP53
Fumaric Acid SCHEMBL6500863 0.69 NOS2 (0.57) NOS2MEN1KMT2ALMNAALDH1A1
Fumaric Acid SCHEMBL6500865 0.69 NOS2 (0.57) NOS2MEN1KMT2ALMNAALDH1A1
SCHEMBL29278728 0.68 KMT2A (0.49) MEN1KMT2ALMNAALDH1A1MAPT

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
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 NOS2 3/4885RAB9A 2510/4885NPC1 2045/4885

“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.