SCHEMBL6330135

SCHEMBL6330135

CCCCC(CCCNC(=O)O)Oc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TBXA2R P21731 1/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HCAR3 P49019 1/20 0.37

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
SCHEMBL6329391 0.96 KMT2A (0.40) KMT2ALMNAPOLBL3MBTL1ALDH1A1
SCHEMBL6332546 0.93 CYP2D6 (0.41) KMT2ALMNAPOLBL3MBTL1ALDH1A1
Fumaric Acid SCHEMBL6332303 0.85 NOS2 (0.50) KMT2AL3MBTL1ALDH1A1SMN1; SMN2KDM4E
Fumaric Acid SCHEMBL6332308 0.85 NOS2 (0.50) KMT2AL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6338041 0.85 NOS2 (0.48) KMT2ALMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6332398 0.85 NOS2 (0.47) KMT2ALMNAPOLBL3MBTL1ALDH1A1
SCHEMBL6330128 0.82 VCAM1 (0.39) KMT2AL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6338279 0.80 NOS2 (0.47) KMT2ALMNAPOLBL3MBTL1ALDH1A1
SCHEMBL6337105 0.80 NOS2 (0.56) LMNAALDH1A1TBXA2RHPGDCYP2D6
Oxalic Acid SCHEMBL6328020 0.80 NOS2 (0.46) KMT2ALMNAL3MBTL1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 US 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-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 KMT2A 2640/4885LMNA 3253/4885POLB 2371/4885

“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.