SCHEMBL19340271

SCHEMBL19340271

N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Sc4ccccc43)c2)cc(N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
ADRA2A P08913 2/20 0.36
ACHE P22303 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
DRD3 P35462 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL19344949 0.92 HDAC6 (0.42) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19345002 0.88 ALDH1A1 (0.39) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19344978 0.88 HDAC6 (0.43) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28964770 0.82 CYP3A4 (0.36) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19268550 0.81 MAOA (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAOA
SCHEMBL19344967 0.80 HDAC6 (0.50) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29617995 0.80 HDAC6 (0.50) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19345019 0.79 HDAC6 (0.47) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17955006 0.79 HDAC6 (0.41) HDAC6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19340275 0.78 CHEK1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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 2 patents. 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
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.