SCHEMBL675853

SCHEMBL675853

O=C(NCCc1ccc2[nH]c3nc(-c4ccco4)ccc3c2c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
POLB P06746 4/20 0.51
MAPT P10636 4/20 0.51
RECQL P46063 4/20 0.51
HPGD P15428 4/20 0.51
MEN1 O00255 3/20 0.51
THRB P10828 3/20 0.51
BLM P54132 3/20 0.51
KMT2A Q03164 3/20 0.51
MCL1 Q07820 3/20 0.51
PTPN7 P35236 3/20 0.51
USP2 O75604 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
ESR2 Q92731 1/20 0.51
CACNA1B Q00975 8/20 0.49
APBA1 Q02410 8/20 0.49
UBE2I P63279 3/20 0.47
SAE1 Q9UBE0 3/20 0.47

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
SCHEMBL676446 0.84 MEN1 (0.45) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL676445 0.83 MMP2 (0.42) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL675639 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTRECQL
SCHEMBL676086 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBMAPTRECQL
SCHEMBL675502 0.81 RAB9A (0.47) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL674656 0.80 MAPT (0.52) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL698444 0.78 SMN1; SMN2 (0.54) ALDH1A1MAPTRECQLHPGDMEN1
SCHEMBL676050 0.77 KDM4E (0.48) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL675622 0.77 HDAC2 (0.41) ALDH1A1KDM4EPOLBMAPTHPGD
SCHEMBL675623 0.77 HDAC2 (0.41) ALDH1A1KDM4EPOLBMAPTHPGD

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 ALDH1A1 749/4885KDM4E 2789/4885POLB 2689/4885

“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.