SCHEMBL12787014

SCHEMBL12787014

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2cc(Cl)c(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(OC)c3O4)cc2Cl)c2ccccc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
GAA P10253 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
RECQL P46063 2/20 0.42
PKM P14618 2/20 0.42
PLIN1 O60240 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALPG P10696 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35

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 0.91 MAPT (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12265918 0.91 MEN1 (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8775782 0.90 MEN1 (0.42) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12787000 0.90 MAPT (0.42) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12787007 0.90 MAPT (0.42) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8776080 0.90 MAPT (0.43) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14141068 0.90 MAPT (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12787013 0.89 MAPT (0.43) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12787008 0.89 MAPT (0.43) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12147205 0.88 MAPT (0.42) MAPTSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-03-10 US disclosed
US-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-03-10 US disclosed
WO-2008090045-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2008-07-31 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 (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-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS CCND3, CCNT1, SCO2 MAPT 3910/4885SMN1; SMN2 3560/4885LMNA 716/4885

“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.