SCHEMBL4520536

SCHEMBL4520536

CCO/C(=N\C(=O)c1cccc2ccccc12)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CDC25B P30305 3/20 0.49
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
PTPN1 P18031 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
HDAC8 Q9BY41 2/20 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
SCHEMBL4520539 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL10465103 0.81 PRNP (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4526167 0.80 RXFP1 (0.47) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL13921790 0.78 NPC1 (0.47) L3MBTL1RAB9ALMNAKDM4ENPC1
SCHEMBL28911954 0.75 RXFP1 (0.43) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL17348463 0.71 CYP19A1 (0.46) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL22208244 0.71 MEN1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL22146816 0.71 AKR1C3 (0.61) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL22208242 0.71 MEN1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL277672 0.71 CDC25B (0.82) ALDH1A1HPGDMEN1KMT2ACDC25B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9113536-B2 Electroluminescent device BASF SE (DE) 2015-08-18 US disclosed
US-9113536-B2 Electroluminescent device BASF SE (DE) 2015-08-18 US disclosed
US-9113536-B2 Electroluminescent device BASF SE (DE) 2015-08-18 US disclosed
US-20090066231-A1 Electroluminescent device UDC IRELAND LIMITED (IE) 2009-03-12 US disclosed
US-20090066231-A1 Electroluminescent device UDC IRELAND LIMITED (IE) 2009-03-12 US disclosed
US-20090066231-A1 Electroluminescent device UDC IRELAND LIMITED (IE) 2009-03-12 US disclosed
EP-1874740-A1 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-01-09 EP disclosed
WO-2006114377-A1 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-02 WO 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-20090066231-A1 Electroluminescent device CD99, TEC, TYR SMN1; SMN2 4409/4885ALDH1A1 281/4885HPGD 642/4885

“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.