SCHEMBL12147103

SCHEMBL12147103

Cc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(F)cc2)c2ccccc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.39
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PLIN1 O60240 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 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
SCHEMBL12761951 0.95 GAA (0.40) MDM2KMT2AGAAMAPTMEN1
SCHEMBL12147098 0.94 MEN1 (0.39) MDM2KMT2AGAAMAPTMEN1
SCHEMBL12147094 0.91 MAPT (0.38) MDM2KMT2AGAAMAPTMEN1
SCHEMBL12147096 0.91 MAPT (0.38) MDM2KMT2AGAAMAPTMEN1
SCHEMBL8778120 0.91 MDM2 (0.36) MDM2KMT2AGAAMAPTMEN1
SCHEMBL8775699 0.91 MAPT (0.42) MDM2KMT2AGAAMAPTMEN1
SCHEMBL15290263 0.90 GAA (0.37) MDM2KMT2AGAAMAPTMEN1
SCHEMBL12147205 0.90 MAPT (0.42) MDM2KMT2AGAAMAPTMEN1
SCHEMBL13285128 0.89 GAA (0.40) MDM2KMT2AGAAMAPTMEN1
SCHEMBL12147107 0.89 GAA (0.36) MDM2KMT2AGAAMAPTMEN1

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 1 patent. 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

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-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS TPI1, TTI1, TST MDM2 4106/4885KMT2A 2781/4885GAA 2549/4885

“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.