SCHEMBL12147205

SCHEMBL12147205

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(C)c3O4)cc2)c2ccccc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PLIN1 O60240 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
NPSR1 Q6W5P4 2/20 0.35
ALPG P10696 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL12787042 0.98 MAPT (0.41) MAPTMEN1KMT2AGAALMNA
SCHEMBL12787043 0.98 MAPT (0.41) MAPTMEN1KMT2AGAALMNA
SCHEMBL12786984 0.97 MAPT (0.42) MAPTMEN1KMT2AGAALMNA
SCHEMBL12265911 0.97 MAPT (0.44) MAPTMEN1KMT2AGAALMNA
SCHEMBL12787027 0.95 MAPT (0.46) MAPTMEN1KMT2AGAALMNA
SCHEMBL8776080 0.95 MAPT (0.43) MAPTMEN1KMT2AGAALMNA
SCHEMBL12787013 0.94 MAPT (0.43) MAPTMEN1KMT2AGAALMNA
SCHEMBL12787008 0.94 MAPT (0.43) MAPTMEN1KMT2AGAALMNA
SCHEMBL12265918 0.94 MEN1 (0.44) MAPTMEN1KMT2AGAALMNA
SCHEMBL12761951 0.94 GAA (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 US disclosed
US-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-03-10 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-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS CCND3, CCNT1, SCO2 MAPT 3910/4885MEN1 1322/4885KMT2A 4214/4885
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS TPI1, TTI1, TST MAPT 2384/4885MEN1 3377/4885KMT2A 2781/4885

“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.