SCHEMBL19344978

SCHEMBL19344978

N#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 2/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
ACHE P22303 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL19345019 0.89 HDAC6 (0.47) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19340271 0.88 HDAC6 (0.39) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19344949 0.86 HDAC6 (0.42) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19345002 0.86 ALDH1A1 (0.39) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17955006 0.85 HDAC6 (0.41) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19344967 0.84 HDAC6 (0.50) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29617995 0.84 HDAC6 (0.50) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17279259 0.83 HDAC6 (0.45) HDAC6MEN1KMT2ALMNATP53
SCHEMBL17279217 0.83 HDAC6 (0.45) HDAC6MEN1KMT2ALMNATP53
SCHEMBL15470447 0.82 HDAC6 (0.57) HDAC6MEN1KMT2AMAOAADRA2A

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.