SCHEMBL676108

SCHEMBL676108

O=S(=O)(c1ccccc1)n1c2ccc(C=Cc3cccc(F)c3)cc2c2ccc(C=Cc3cccc(F)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
NFE2L2 Q16236 4/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM4 Q14833 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
PARP1 P09874 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL3667601 0.92 TP53 (0.41) HTR2ATP53MAPTKDM4ENPC1
SCHEMBL675181 0.89 NFE2L2 (0.40) HTR2ANFE2L2TP53MAPTALDH1A1
SCHEMBL3665213 0.83 HDAC3 (0.44) TP53MAPTALDH1A1KDM4ENPC1
SCHEMBL3728167 0.82 PTGDR2 (0.37) HTR2ANFE2L2TP53MAPTALDH1A1
SCHEMBL675451 0.81 NFE2L2 (0.40) HTR2ANFE2L2TP53MAPTALDH1A1
SCHEMBL674753 0.80 TP53 (0.40) TP53MAPTSMN1; SMN2HTR6SRC
SCHEMBL678710 0.80 TP53 (0.40) TP53MAPTSMN1; SMN2HTR6SRC
SCHEMBL674878 0.79 NFE2L2 (0.39) HTR2ANFE2L2TP53MAPTALDH1A1
SCHEMBL675758 0.78 NFE2L2 (0.39) HTR2ANFE2L2TP53MAPTGRM4
SCHEMBL678792 0.77 HTR6 (0.42) MAPTALDH1A1KDM4ENPC1RAB9A

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 HTR2A 4375/4885NFE2L2 845/4885TP53 243/4885

“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.