SCHEMBL19344993

SCHEMBL19344993

N#Cc1ccc(N2c3ccccc3Sc3ccccc32)cc1-c1cc(N2c3ccccc3Sc3ccccc32)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAOA P21397 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
BCHE P06276 2/20 0.35
GPR84 Q9NQS5 1/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NOX1 Q9Y5S8 2/20 0.33
RAB9A P51151 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL19345275 0.88 HDAC6 (0.42) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21397047 0.86 HDAC6 (0.35) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21397036 0.83 FNTA (0.36) HDAC6ALDH1A1SMN1; SMN2FNTAFNTB
SCHEMBL19344939 0.82 HDAC6 (0.39) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20437424 0.82 MEN1 (0.39) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19340281 0.81 HDAC6 (0.41) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20437412 0.81 MAOA (0.40) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18196330 0.78 MAOA (0.44) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20437423 0.78 HDAC6 (0.39) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19344992 0.78 KDM4E (0.35) MEN1KMT2AALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 US 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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 HDAC6 4160/4885MEN1 833/4885KMT2A 2506/4885

“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.