SCHEMBL6794498

SCHEMBL6794498

CC1(C(O)c2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
AKR1B1 P15121 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL6793015 0.79 CYP19A1 (0.34) KMT2AMEN1
SCHEMBL6790620 0.77 MMP2 (0.43) MMP8AKR1B1
SCHEMBL6795148 0.77 AKR1B1 (0.35) ALDH1A1AKR1B1
SCHEMBL7040301 0.76 MMP8 (0.43) MMP8ALDH1A1KDM4EMAPTKMT2A
SCHEMBL6793526 0.74 CA12 (0.40) MMP8CA12CA1CA2CA9
SCHEMBL6793983 0.74 MMP2 (0.45) MMP8ALDH1A1KMT2AMAPK1CYP3A4
SCHEMBL6793269 0.73 MEN1 (0.36) MMP8ALDH1A1MAPTKMT2AMEN1
SCHEMBL6827189 0.70 ESR1 (0.44) CYP1A2CYP3A4
SCHEMBL6827181 0.70 ESR1 (0.44) CYP1A2CYP3A4
SCHEMBL6698910 0.70 ADAMTS5 (0.41) AKR1B1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (2 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 MMP8 19/4885ALDH1A1 294/4885KDM4E 2088/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP8 36/4885ALDH1A1 1250/4885KDM4E 2227/4885

“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.