SCHEMBL2961439

SCHEMBL2961439

c1ccc2c(c1)[N]c1ccc(-c3cccc4ccccc34)cc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
ACMSD Q8TDX5 1/20 0.45
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2963169 0.96 MCL1 (0.47) MCL1ACMSDENPP3ENPP1EDNRB
SCHEMBL2954904 0.79 GSTP1 (0.46) CA1CA2CA9HDAC8KDM4E
SCHEMBL2967623 0.76 MEN1 (0.47) KDM4EALDH1A1ATMHSD17B10RAB9A
SCHEMBL31742566 0.75 MCL1 (0.54) MCL1ACMSDENPP3ENPP1EDNRB
SCHEMBL57214 0.75 MCL1 (0.54) MCL1ACMSDENPP3ENPP1EDNRB
SCHEMBL20553844 0.75 TRPA1 (0.45) MCL1EDNRBEDNRACA12CA1
SCHEMBL14036308 0.75 MCL1 (0.53) MCL1ACMSDENPP3ENPP1EDNRB
SCHEMBL29628903 0.75 MCL1 (0.53) MCL1ACMSDENPP3ENPP1EDNRB
SCHEMBL3798335 0.74 CA12 (0.62) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL4444811 0.74 ALDH1A1 (0.56) MCL1ACMSDENPP3ENPP1EDNRB

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-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 MCL1 3588/4885ACMSD 3023/4885ENPP3 1058/4885

“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.