SCHEMBL675412

SCHEMBL675412

COc1ccc(C=Cc2ccc3[nH]c4nc(C=Cc5ccc(OC)cc5)ccc4c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALK Q9UM73 2/20 0.44
DHFR P00374 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TUBB1 Q9H4B7 3/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42

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
SCHEMBL676437 0.87 AHR (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL676436 0.87 AHR (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3666122 0.86 RELA (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL676476 0.84 IP6K1 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3725135 0.79 GHSR (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3725133 0.79 GHSR (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL675669 0.78 ALK (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL677055 0.77 ALK (0.37) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL676243 0.77 RELA (0.47) NPC1RAB9ASMN1; SMN2ALKKDM4E
SCHEMBL675668 0.76 TAS1R3 (0.37) NPC1RAB9AMAPTSMN1; SMN2ALK

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 NPC1 239/4885RAB9A 2539/4885MEN1 1324/4885

“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.