SCHEMBL676230

SCHEMBL676230

CCCCC/C=C/c1ccnc2[nH]c3ccc(C(=O)CCC(=O)NCc4ccc(OC)cc4)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
CNR2 P34972 1/20 0.51
EPHX2 P34913 4/20 0.43
FAAH O00519 2/20 0.43
ALK Q9UM73 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TRPV1 Q8NER1 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MTOR P42345 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL676231 1.00 CNR1 (0.51) CNR1CNR2EPHX2FAAHALK
SCHEMBL3723842 0.86 CNR1 (0.46) CNR1CNR2EPHX2MAPTMEN1
SCHEMBL3725522 0.85 CNR1 (0.52) CNR1CNR2EPHX2FAAHMAPT
SCHEMBL3725521 0.85 CNR1 (0.52) CNR1CNR2EPHX2FAAHMAPT
SCHEMBL675634 0.84 CNR1 (0.52) CNR1CNR2EPHX2FAAHMAPT
SCHEMBL675635 0.84 CNR1 (0.52) CNR1CNR2EPHX2FAAHMAPT
SCHEMBL676857 0.83 ALK (0.43) FAAHALK
SCHEMBL676856 0.83 ALK (0.43) FAAHALK
SCHEMBL675230 0.81 MEN1 (0.47) MAPTMEN1KMT2ACYP3A4TP53
SCHEMBL3724364 0.81 MEN1 (0.41) CNR1CNR2MAPTMEN1KMT2A

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 CNR1 442/4885CNR2 965/4885EPHX2 4579/4885

“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.