SCHEMBL676186

SCHEMBL676186

CCOCn1c2ccccc2c2ccc(Oc3cccc(OC)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSPO P30536 4/20 0.41
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HCRTR1 O43613 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 3/20 0.38
BRCA1 P38398 1/20 0.38
HBB P68871 1/20 0.38
ALOX15 P16050 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37

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
SCHEMBL676098 0.84 MAPT (0.44) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL679246 0.80 L3MBTL1 (0.50) NPSR1KMT2AMAPTALDH1A1MEN1
SCHEMBL675146 0.77 MTNR1B (0.38) POLBNPSR1TSPOKMT2AMAPT
SCHEMBL674752 0.74 PTGER4 (0.49) POLBTSPOKMT2AMAPTALDH1A1
SCHEMBL676181 0.69 GRM5 (0.42) POLBKMT2AMAPTALDH1A1MEN1
SCHEMBL23148493 0.65 GRIK2 (0.56) POLBNPSR1KMT2AMAPTALDH1A1
SCHEMBL675907 0.65 GRM5 (0.39) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL679316 0.65 MAPT (0.51) POLBNPSR1KMT2AMAPTALDH1A1
SCHEMBL30616062 0.64 KMT2A (0.62) POLBTSPOKMT2AMAPTALDH1A1
SCHEMBL29093447 0.64 KMT2A (0.62) POLBTSPOKMT2AMAPTALDH1A1

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 POLB 2689/4885NPSR1 1706/4885TSPO 2866/4885

“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.