SCHEMBL8778055

SCHEMBL8778055

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(F)cc2F)c2ccccc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PLIN1 O60240 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
NPSR1 Q6W5P4 3/20 0.33
ALPG P10696 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL13491012 0.94 MAPT (0.41) MAPTMEN1KMT2AGAALMNA
SCHEMBL8776281 0.91 MAPT (0.36) MAPTMEN1KMT2AGAALMNA
SCHEMBL8775699 0.90 MAPT (0.42) MAPTMEN1KMT2AGAALMNA
SCHEMBL8778142 0.89 MAPT (0.42) MAPTMEN1KMT2AGAALMNA
SCHEMBL13284748 0.88 GAA (0.39) MAPTMEN1KMT2AGAALMNA
SCHEMBL13300482 0.88 GAA (0.43) MAPTMEN1KMT2AGAALMNA
SCHEMBL12787014 0.87 MAPT (0.42) MAPTMEN1KMT2AGAALMNA
SCHEMBL8780463 0.87 GAA (0.42) MAPTMEN1KMT2AGAALMNA
SCHEMBL12787007 0.87 MAPT (0.42) MAPTMEN1KMT2AGAALMNA
SCHEMBL12787000 0.87 MAPT (0.42) MAPTMEN1KMT2AGAALMNA

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-8501053-B2 Multi color, photoactive, color changing compositions and UV dosimeters BASF SE (DE) 2013-08-06 US disclosed
US-8403558-B2 TTI indicator with balanced photochemical processes BIZERBA GMBH & CO. KG (DE) 2013-03-26 US disclosed
US-8403558-B2 TTI indicator with balanced photochemical processes BIZERBA GMBH & CO. KG (DE) 2013-03-26 US disclosed
US-20120288690-A1 MULTI COLOR, PHOTOACTIVE, COLOR CHANGING COMPOSITIONS BASF SE (DE) 2012-11-15 US disclosed
EP-2102307-B1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR FRESHPOINT HOLDINGS SA (CH) 2012-05-23 EP disclosed
US-20110297898-A1 PREPARATION OF A PHOTOCHROMIC INK BASF SE (DE) 2011-12-08 US disclosed
US-20110217786-A1 OPTIMIZED TIME TEMPERATURE INDICATOR BIZERBA GMBH & CO. KG (DE) 2011-09-08 US disclosed
US-20110217786-A1 OPTIMIZED TIME TEMPERATURE INDICATOR BIZERBA GMBH & CO. KG (DE) 2011-09-08 US disclosed
WO-2011060152-A2 MULTI COLOR, PHOTOACTIVE, COLOR CHANGING COMPOSITIONS BASF SE (DE) 2011-05-19 WO disclosed
EP-2102306-B1 TTI INDICATOR WITH BALANCED PHOTOCHEMICAL PROCESSES BASF SE (DE) 2010-11-24 EP disclosed
US-20100135353-A1 TTI INDICATOR WITH BALANCED PHOTOCHEMICAL PROCESSES CIBA CORPORATION (US) 2010-06-03 US disclosed
US-20100135353-A1 TTI INDICATOR WITH BALANCED PHOTOCHEMICAL PROCESSES CIBA CORPORATION (US) 2010-06-03 US disclosed
US-20100034961-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR FRESHPOINT HOLDINGS SA (CH) 2010-02-11 US disclosed
WO-2009127529-A1 OPTIMIZED TIME TEMPERATURE INDICATOR BASF SE (DE) 2009-10-22 WO disclosed
WO-2008083895-A1 TTI INDICATOR WITH BALANCED PHOTOCHEMICAL PROCESSES CIBA HOLDING INC. (CH) 2008-07-17 WO disclosed
WO-2008083925-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR FRESHPOINT HOLDINGS SA (CH) 2008-07-17 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-20110297898-A1 PREPARATION OF A PHOTOCHROMIC INK RB1, REN, MYH14 MAPT 1266/4885MEN1 3052/4885KMT2A 2132/4885
US-20100034961-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR TTI1, NQO2, CCNI MAPT 3732/4885MEN1 828/4885KMT2A 4254/4885

“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.