SCHEMBL678792

SCHEMBL678792

COc1ccc(-c2ccc3c(c2)c2ccc(/C=C/c4ccccc4)nc2n3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALK Q9UM73 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NPM1 P06748 1/20 0.41
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 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
SCHEMBL676122 1.00 HTR6 (0.42) HTR6POLBL3MBTL1ALKHDAC3
SCHEMBL3665213 0.91 HDAC3 (0.44) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL675444 0.84 HTR6 (0.46) HTR6POLBL3MBTL1RAB9ANPC1
SCHEMBL3667601 0.84 TP53 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL675245 0.83 HTR6 (0.45) HTR6POLBL3MBTL1RAB9AALDH1A1
SCHEMBL684355 0.82 ALK (0.45) L3MBTL1ALKHDAC2HDAC8HDAC6
SCHEMBL13463995 0.82 ALK (0.43) L3MBTL1ALKHDAC2HDAC8HDAC6
SCHEMBL676360 0.81 HDAC3 (0.44) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL678717 0.81 HTR6 (0.43) HTR6POLBL3MBTL1RAB9AKDM4E
SCHEMBL676946 0.80 ALK (0.56) HTR6POLBL3MBTL1ALKHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 HTR6 4762/4885POLB 2689/4885L3MBTL1 1883/4885

“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.