SCHEMBL676086

SCHEMBL676086

O=C(NCCc1ccc2[nH]c3nccc(-c4ccco4)c3c2c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 2/20 0.48
POLB P06746 2/20 0.48
THRB P10828 2/20 0.48
HPGD P15428 2/20 0.48
RECQL P46063 2/20 0.48
BLM P54132 2/20 0.48
MCL1 Q07820 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
PTPN7 P35236 1/20 0.48
ESR2 Q92731 1/20 0.48
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL674591 0.85 ALK (0.50) KDM4EMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL674590 0.85 KDM5B (0.44) KDM4EMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL675879 0.83 KDM5B (0.48) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL675639 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL675853 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL676129 0.81 KMT2A (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL676173 0.79 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL684505 0.79 KMT2A (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL676518 0.79 ALK (0.48) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL676356 0.78 ALK (0.55) KDM4EMEN1KMT2ARAB9ASMN1; SMN2

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 749/4885MAPT 1494/4885KDM4E 2789/4885

“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.