SCHEMBL676243

SCHEMBL676243

Fc1cccc(C=Cc2ccc3[nH]c4nc(C=Cc5cccc(F)c5)ccc4c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM4 Q14833 1/20 0.47
NFE2L2 Q16236 7/20 0.46
USP20 Q9Y2K6 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
PARP1 P09874 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL676476 0.87 IP6K1 (0.44) RELAKDM4ENPC1ALDH1A1HPGD
SCHEMBL675227 0.86 NFE2L2 (0.45) RELANPC1RAB9AGRM4NFE2L2
SCHEMBL676268 0.86 RELA (0.41) RELAKDM4ENPC1ALDH1A1HPGD
SCHEMBL3721855 0.79 ALK (0.38) RELANFE2L2USP20TUBB4ATUBB
SCHEMBL675114 0.78 USP20 (0.40) GRM4NFE2L2USP20TUBB4ATUBB
SCHEMBL675412 0.77 NPC1 (0.47) RELAKDM4ENPC1ALDH1A1HPGD
SCHEMBL674859 0.77 NFE2L2 (0.47) RELAKDM4ENFE2L2USP20TUBB4A
SCHEMBL675105 0.76 NFE2L2 (0.53) RELANFE2L2USP20TUBB4ATUBB
SCHEMBL678798 0.76 NFE2L2 (0.53) RELANFE2L2USP20TUBB4ATUBB
SCHEMBL675247 0.74 CA5A (0.53) KDM4ENPC1ALDH1A1HPGDNFKB1

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 RELA 565/4885KDM4E 2789/4885NPC1 239/4885

“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.