SCHEMBL675635

SCHEMBL675635

CCCCCC=Cc1ccc2c(n1)[nH]c1ccc(C(=O)CCC(=O)NCc3ccc(OC)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
CNR2 P34972 1/20 0.51
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.43
EPHX2 P34913 4/20 0.43
FAAH O00519 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
MTOR P42345 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
SCHEMBL675634 1.00 CNR1 (0.52) CNR1CNR2MAPTTP53EPHX2
SCHEMBL3725521 0.86 CNR1 (0.52) CNR1CNR2MAPTTP53EPHX2
SCHEMBL3725522 0.86 CNR1 (0.52) CNR1CNR2MAPTTP53EPHX2
SCHEMBL3720222 0.85 MAPT (0.46) CNR1CNR2MAPTTP53MEN1
SCHEMBL676231 0.84 CNR1 (0.51) CNR1CNR2MAPTTP53EPHX2
SCHEMBL676230 0.84 CNR1 (0.51) CNR1CNR2MAPTTP53EPHX2
SCHEMBL676502 0.83 LTB4R (0.43) CNR1CNR2MAPTTP53MEN1
SCHEMBL676501 0.83 LTB4R (0.43) CNR1CNR2MAPTTP53MEN1
SCHEMBL675870 0.81 MEN1 (0.49) MAPTTP53MEN1KMT2APOLB
SCHEMBL3724384 0.81 MEN1 (0.43) CNR1CNR2MAPTTP53MEN1

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 4 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
CN-102203092-A Alfa-carboline inhibitors of npm-alk, ret, and bcr-abl UNIV DEGLI STUDI MILANO 2011-09-28 CN 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 965/4885MAPT 1494/4885

“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.