SCHEMBL16495254

SCHEMBL16495254

O=C(O)N(c1ccc(-n2cccc2)cc1)c1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TNF P01375 1/20 0.40
ALOX5 P09917 4/20 0.39
EPHX2 P34913 2/20 0.39
ACHE P22303 5/20 0.39
BRD4 O60885 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NSD2 O96028 1/20 0.36
GRK2 P25098 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL16495164 0.87 HDAC1 (0.44) ALDH1A1MAPTTNFALOX5EPHX2
SCHEMBL16495220 0.86 MAPT (0.46) ALDH1A1MAPTTNFALOX5EPHX2
SCHEMBL16495305 0.84 TNF (0.48) MAPTTNFALOX5EPHX2ACHE
SCHEMBL16495221 0.81 MAPT (0.45) POLBMAPTTNFALOX5EPHX2
SCHEMBL16495315 0.80 PRMT1 (0.48) MEN1KMT2APOLBMAPTTNF
SCHEMBL16495143 0.77 S1PR5 (0.44) MEN1KMT2AACHEHPGD
SCHEMBL16495050 0.75 ACHE (0.59) ALOX5EPHX2ACHE
SCHEMBL27424435 0.75 TNF (0.47) TNFALOX5EPHX2ACHEBRD4
Methane SCHEMBL27429811 0.74 TNF (0.46) TNFALOX5EPHX2ACHEBRD4
SCHEMBL16494909 0.74 TNF (0.43) TNFALOX5EPHX2ACHE

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-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT MEN1 3175/4885KMT2A 2746/4885POLB 4025/4885

“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.