SCHEMBL6005016

SCHEMBL6005016

CCOC(=O)Nc1ccc(C(N)c2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 4/20 0.49
MAPT P10636 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 2/20 0.46
KCNMA1 Q12791 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL6004292 0.91 KMT2A (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL6004947 0.85 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL3089871 0.82 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL6390737 0.81 TSHR (0.60) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL4993342 0.79 KMT2A (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL11159531 0.78 MAPT (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL11027035 0.77 KMT2A (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL2553087 0.77 KMT2A (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL6005020 0.76 KCNQ3 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11063864 0.76 L3MBTL1 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A

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-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 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-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 CYP1A2 9/4885CYP2C9 12/4885CYP2C19 11/4885

“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.