SCHEMBL676327

SCHEMBL676327

O=C(NCCc1ccc2[nH]c3ncc(C=Cc4ccccc4)cc3c2c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ESRRG P62508 1/20 0.42
RAB9A P51151 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL676326 1.00 GSK3B (0.43) GSK3BHDAC6HDAC2HDAC8HDAC1
SCHEMBL676908 0.86 CNR1 (0.52) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL674809 0.84 HIF1A (0.48) ESRRGRAB9AMEN1KMT2ANPC1
SCHEMBL675623 0.84 HDAC2 (0.41) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL675622 0.84 HDAC2 (0.41) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL676355 0.83 ALK (0.55) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL676356 0.83 ALK (0.55) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL674808 0.83 SNCA (0.42) GSK3BESRRGRAB9AMEN1KMT2A
SCHEMBL684505 0.82 KMT2A (0.51) ESRRGRAB9AMEN1KMT2ANPC1
SCHEMBL675639 0.80 ALDH1A1 (0.46) ESRRGRAB9AMEN1KMT2ANPC1

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-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
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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 GSK3B 104/4885HDAC6 3662/4885HDAC2 4209/4885

“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.