SCHEMBL1616714

SCHEMBL1616714

Cc1cn(-c2ccc([N+](=O)[O-])cc2Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
LMNA P02545 6/20 0.47
TLR2 O60603 2/20 0.46
TLR1 Q15399 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 6/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
PHGDH O43175 1/20 0.43
HTT P42858 1/20 0.42
RECQL P46063 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
SCHEMBL1616767 0.86 ALDH1A1 (0.49) ALDH1A1LMNATLR2TLR1MAPT
SCHEMBL8475128 0.84 ALDH1A1 (0.50) ALDH1A1LMNATLR2TLR1MAPT
SCHEMBL8034073 0.83 TLR2 (0.49) ALDH1A1TLR2TLR1MAPTGAA
SCHEMBL1617550 0.83 ALDH1A1 (0.47) ALDH1A1LMNATLR2TLR1MAPT
SCHEMBL512865 0.81 PSEN1 (0.50) LMNAKMT2AHTT
SCHEMBL10153120 0.81 ALDH1A1 (0.49) ALDH1A1LMNATLR2TLR1MAPT
SCHEMBL23292585 0.81 TLR2 (0.49) ALDH1A1LMNATLR2TLR1KMT2A
SCHEMBL1038330 0.80 ALDH1A1 (0.54) ALDH1A1LMNATLR2TLR1MAPT
SCHEMBL16914219 0.80 TLR2 (0.44) ALDH1A1TLR2TLR1MEN1KMT2A
SCHEMBL15442425 0.80 TLR2 (0.48) ALDH1A1TLR2TLR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP 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

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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 ALDH1A1 3574/4885LMNA 959/4885TLR2 4832/4885

“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.