SCHEMBL675146

SCHEMBL675146

CCOCn1c2ccccc2c2c(Oc3cccc(OC)c3)ccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.38
TSPO P30536 1/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL677933 0.81 L3MBTL1 (0.45) TDP1POLBMAPTKMT2AMEN1
SCHEMBL676186 0.77 POLB (0.41) TSPOTSHRTDP1POLBNPSR1
SCHEMBL675524 0.75 UTS2R (0.37) TSHRTDP1POLBMAPTKMT2A
SCHEMBL676390 0.70 SLC2A1 (0.34) TSHRTDP1MAPTKMT2AMEN1
SCHEMBL676070 0.69 UTS2R (0.33) TSHRTDP1POLBMAPTUSP2
SCHEMBL7454814 0.68 EGFR (0.56) MAPTEGFR
SCHEMBL678755 0.65 MAPT (0.45) POLBNPSR1MAPTALDH1A1L3MBTL1
SCHEMBL6517411 0.65 AURKA (0.50) MAPTKMT2AMEN1
SCHEMBL676791 0.63 PTGER4 (0.49) TSPOTSHRTDP1NPSR1MAPT
SCHEMBL31744794 0.63 PRKCA (0.49) POLBMAPTKMT2AMEN1ALDH1A1

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 MTNR1B 1185/4885TSPO 2866/4885TSHR 3483/4885

“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.