SCHEMBL19345002

SCHEMBL19345002

N#Cc1cc(C#N)cc(-c2cccc(N3c4ccccc4Sc4ccccc43)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
FAAH O00519 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
MGLL Q99685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.36
DHFR P00374 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.34
PGR P06401 2/20 0.34
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL19340271 0.88 HDAC6 (0.39) ALDH1A1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL21927374 0.86 CYP11B2 (0.41) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19344978 0.86 HDAC6 (0.43) ALDH1A1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL20383142 0.85 FAAH (0.46) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL21922140 0.85 CYP11B2 (0.40) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL21927221 0.84 CYP11B2 (0.42) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19344949 0.84 HDAC6 (0.42) ALDH1A1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL21928211 0.81 CYP1A2 (0.35) DHFRLMNACYP1A2CYP2C19TP53
SCHEMBL19344991 0.81 ALDH1A1 (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL19344970 0.81 CHEK1 (0.44) ALDH1A1FAAHHSP90AA1PKMHTT

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 ALDH1A1 616/4885FAAH 4316/4885HSP90AA1 4489/4885

“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.