SCHEMBL6486649

SCHEMBL6486649

COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OCCCN4CCOCC4)cc3)ccc2C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55
MAPK14 Q16539 6/20 0.55
KDR P35968 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
SMO Q99835 1/20 0.54
EGFR P00533 1/20 0.53
EPHX2 P34913 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
RAF1 P04049 1/20 0.51
ARAF P10398 1/20 0.51
BRAF P15056 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51

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
SCHEMBL7806481 0.94 CYP2D6 (0.56) CYP2D6CYP2C9ABL1BCRMAPK14
SCHEMBL6477726 0.88 MCHR1 (0.65) ABL1BCRMAPK14KDRKMT2A
SCHEMBL6780902 0.85 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL6476913 0.84 MAPK14 (0.71) CYP2C9MAPK14KDRALDH1A1MAPT
SCHEMBL6477598 0.84 MAPK14 (0.60) MAPK14ALDH1A1MAPTSMO
SCHEMBL6477354 0.84 MAPK14 (0.60) MAPK14KMT2AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7804529 0.83 MCHR1 (0.59) ABL1BCRMAPK14KDRKMT2A
SCHEMBL6485822 0.81 MAPK14 (0.72) MAPK14KDRMAPTSMO
SCHEMBL6782012 0.81 MAPK14 (0.60) ABL1MAPK14KMT2AMEN1ALDH1A1
SCHEMBL7809423 0.79 EPHX2 (0.62) CYP2C9MAPK14KDRALDH1A1MAPT

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-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB 2003-11-13 US disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST CYP2D6 85/4885CYP2C9 898/4885ABL1 526/4885

“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.