Sugi Predict

Sugi Predict / Compounds / SCHEMBL8776080

SCHEMBL8776080

SCHEMBL8776080

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ PLIN1 O60240 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLIN5 Q00G26 1/20 0.43
▸ ABHD5 Q8WTS1 1/20 0.43
▸ TLR3 O15455 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALPG P10696 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12265911 0.98 MAPT (0.44) MAPTGAAMEN1KMT2ALMNA
SCHEMBL12787008 0.96 MAPT (0.43) MAPTGAAMEN1KMT2ALMNA
SCHEMBL12787013 0.96 MAPT (0.43) MAPTGAAMEN1KMT2ALMNA
SCHEMBL12265918 0.96 MEN1 (0.44) MAPTGAAMEN1KMT2ALMNA
SCHEMBL12147205 0.95 MAPT (0.42) MAPTGAAMEN1KMT2ALMNA
SCHEMBL8775782 0.95 MEN1 (0.42) MAPTGAAMEN1KMT2ALMNA
SCHEMBL14141068 0.95 MAPT (0.44) MAPTGAAMEN1KMT2ALMNA
SCHEMBL8775699 0.94 MAPT (0.42) MAPTGAAMEN1KMT2ALMNA
SCHEMBL8776212 0.94 MAPT (0.42) MAPTGAAMEN1KMT2ALMNA
SCHEMBL13828516 0.94 MAPT (0.42) MAPTGAAMEN1KMT2ALMNA

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
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-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 — — US disclosed
WO-2010092030-A1 TIME-TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2010-08-19 — — WO disclosed
US-20100034961-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR FRESHPOINT HOLDINGS SA (CH) 2010-02-11 — — US 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 (3 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 1266/4885GAA 2158/4885MEN1 3052/4885
US-20100034961-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR TTI1, NQO2, CCNI MAPT 3732/4885GAA 4192/4885MEN1 828/4885
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS TPI1, TTI1, TST MAPT 2384/4885GAA 2549/4885MEN1 3377/4885

“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.