SCHEMBL2188552

SCHEMBL2188552

COc1cc(C(O)c2ccccc2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL12451651 0.89 ALDH1A1 (0.44) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL1897076 0.89 ALDH1A1 (0.44) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL2187830 0.87 PTGS2 (0.46) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL5583291 0.87 ALDH1A1 (0.44) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL2187742 0.86 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL210215 0.83 HTT (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8726011 0.79 CNR2 (0.50) ALDH1A1TDP1MAPTCYP3A4L3MBTL1
SCHEMBL10478141 0.79 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL11618422 0.79 ALDH1A1 (0.44) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL6551658 0.79 CYP3A4 (0.51) ALDH1A1TDP1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171181-A N- (alpha-aryl-substituted-2-nitro-4, 5-dialkoxybenzyloxycarbonyl) amine compound and process for producing the same SHOWA DENKO KK 2011-08-31 CN disclosed
US-20110172421-A1 N-(alpha-AROMATIC GROUP-SUBSTITUTED-2-NITRO-4,5-DIALKOXYBENZYLOXYCARBONYL)AMINE COMPOUND AND PROCESS FOR PRODUCING THE SAME SHOWA DENKO K.K. (JP) 2011-07-14 US disclosed
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 US disclosed
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO disclosed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 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 (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-20110172421-A1 N-(alpha-AROMATIC GROUP-SUBSTITUTED-2-NITRO-4,5-DIALKOXYBENZYLOXYCARBONYL)AMINE COMPOUND AND PROCESS FOR PRODUCING THE SAME NME2, DAO, NMBR ALDH1A1 982/4885TDP1 963/4885LMNA 1967/4885
US-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK ALDH1A1 2920/4885TDP1 177/4885LMNA 214/4885

“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.