SCHEMBL30894547

SCHEMBL30894547

Nc1ccccc1NCc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.64
BACE1 P56817 1/20 0.57
HDAC1 Q13547 4/20 0.53
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNH3 Q9ULD8 1/20 0.47
ABCB1 P08183 1/20 0.45
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3884069 1.00 ADRA2C (0.64) ADRA2CBACE1HDAC1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3874671 0.98 ADRA2C (0.62) ADRA2CBACE1HDAC1HTTSMN1; SMN2
SCHEMBL7164883 0.86 BACE1 (0.56) ADRA2CBACE1HDAC1KDM4EPOLB
SCHEMBL29922357 0.84 BACE1 (0.65) BACE1HDAC1HTTKDM4EHDAC3
SCHEMBL396451 0.84 BACE1 (0.65) BACE1HDAC1HTTKDM4EHDAC3
SCHEMBL13879812 0.82 HDAC1 (0.69) BACE1HDAC1HDAC3HDAC2NCOR2
SCHEMBL3872334 0.81 LTA4H (0.60) ADRA2CBACE1HDAC1HTTSMN1; SMN2
SCHEMBL30894545 0.80 BACE1 (0.47) ADRA2CBACE1HDAC1KDM4EL3MBTL1
SCHEMBL16489564 0.79 KDM4C (0.56) ADRA2CBACE1HTTSMN1; SMN2KCNH3
SCHEMBL16489591 0.79 KDM4C (0.60) ADRA2CBACE1HTTSMN1; SMN2KCNH3

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-20240158385-A1 NOVEL COMPOUNDS Cerevance, Inc. 2024-05-16 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-20240158385-A1 NOVEL COMPOUNDS KCNK3, KCNA4, KCNK13 ADRA2C 591/4885BACE1 1960/4885HDAC1 1304/4885

“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.