SCHEMBL6326580

SCHEMBL6326580

CN(C)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
MAPT P10636 4/20 0.68
HPGD P15428 2/20 0.68
SRD5A2 P31213 2/20 0.62
MAPK1 P28482 5/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TSHR P16473 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
PHLPP2 Q6ZVD8 1/20 0.62
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
POLB P06746 1/20 0.57
CES1 P23141 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL10900520 0.88 MAPT (0.61) ALDH1A1MAPTHPGDSRD5A2MAPK1
SCHEMBL218018 0.87 MAPT (0.78) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL31155755 0.85 ATM (0.57) ALDH1A1MAPTMAPK1TDP1L3MBTL1
Hydrogen Sulfide SCHEMBL28326954 0.85 MAPT (0.75) ALDH1A1MAPTMAPK1TDP1L3MBTL1
Phosphine SCHEMBL30201038 0.85 MAPT (0.75) ALDH1A1MAPTMAPK1TDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL29558993 0.85 MAPT (0.75) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL10723714 0.84 SRD5A2 (0.83) ALDH1A1MAPTSRD5A2MAPK1TDP1
SCHEMBL975118 0.84 SRD5A2 (0.83) ALDH1A1MAPTSRD5A2MAPK1TDP1
SCHEMBL10693570 0.84 RAB9A (0.58) ALDH1A1MAPTHPGDTDP1TSHR
SCHEMBL11750739 0.84 MAPT (0.60) ALDH1A1MAPTHPGDMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 ALDH1A1 155/4885MAPT 3022/4885HPGD 149/4885

“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.