SCHEMBL1616767

SCHEMBL1616767

Cc1cn(-c2ccc([N+](=O)[O-])cc2C)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.49
TLR2 O60603 3/20 0.48
TLR1 Q15399 3/20 0.48
NPC1 O15118 1/20 0.47
CYP3A4 P08684 3/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8475128 0.87 ALDH1A1 (0.50) ALDH1A1TDP1TSHRTLR2TLR1
SCHEMBL1616714 0.86 ALDH1A1 (0.47) ALDH1A1TLR2TLR1MAPK1SMN1; SMN2
SCHEMBL1617550 0.86 ALDH1A1 (0.47) ALDH1A1TDP1TSHRTLR2TLR1
SCHEMBL8034073 0.86 TLR2 (0.49) ALDH1A1TDP1TSHRTLR2TLR1
SCHEMBL1038330 0.85 ALDH1A1 (0.54) ALDH1A1TLR2TLR1SMN1; SMN2MEN1
SCHEMBL16914219 0.85 TLR2 (0.44) ALDH1A1TDP1TSHRTLR2TLR1
SCHEMBL512865 0.83 PSEN1 (0.50) KMT2ALMNA
SCHEMBL10153120 0.83 ALDH1A1 (0.49) ALDH1A1TDP1TSHRTLR2TLR1
SCHEMBL23292585 0.83 TLR2 (0.49) ALDH1A1TDP1TSHRTLR2TLR1
SCHEMBL11901049 0.82 TLR2 (0.48) ALDH1A1TDP1TSHRTLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
WO-2009076337-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-18 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 (5 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885TDP1 680/4885TSHR 4449/4885
US-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 ALDH1A1 3574/4885TDP1 234/4885TSHR 4301/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB ALDH1A1 2956/4885TDP1 263/4885TSHR 4768/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 ALDH1A1 1704/4885TDP1 650/4885TSHR 4380/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ALDH1A1 2860/4885TDP1 226/4885TSHR 4780/4885

“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.