SCHEMBL6005076

SCHEMBL6005076

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 5/20 0.59
POLB P06746 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 3/20 0.57
RAB9A P51151 3/20 0.57
PKM P14618 2/20 0.57
NPC1 O15118 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
PTGER4 P35408 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.51
HCAR3 P49019 5/20 0.51
GALR2 O43603 1/20 0.48

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
SCHEMBL6004947 0.86 CYP1A2 (0.65) KMT2AALDH1A1POLBMAPTRAB9A
SCHEMBL11159531 0.84 MAPT (0.62) KMT2AALDH1A1KDM4EMAPTRAB9A
SCHEMBL2553087 0.83 KMT2A (0.56) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL4993342 0.83 KMT2A (0.56) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL2643864 0.82 KMT2A (0.68) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL29793669 0.82 KMT2A (0.68) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL6170744 0.82 KMT2A (1.00) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL7556196 0.82 SMN1; SMN2 (0.67) KMT2AALDH1A1POLBMAPTRAB9A
SCHEMBL6004370 0.81 KMT2A (0.54) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL6004914 0.81 ALDH1A1 (0.54) KMT2AALDH1A1POLBKDM4EMAPT

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 KMT2A 2966/4885ALDH1A1 209/4885POLB 2463/4885

“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.