SCHEMBL4996035

SCHEMBL4996035

CCOc1ccccc1-c1cncc(N2CCN(c3ccc(C(C)=O)cc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
CHEK1 O14757 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL5003303 0.87 MAPT (0.48) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL4994712 0.86 MAOB (0.44) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL4992025 0.84 NPC1 (0.47) SMN1; SMN2KMT2AMAPTALDH1A1NPSR1
SCHEMBL4987334 0.82 NPC1 (0.45) SMN1; SMN2KMT2AMAPTALDH1A1NPC1
SCHEMBL4996877 0.82 NPC1 (0.45) SMN1; SMN2KMT2AMAPTALDH1A1NPC1
SCHEMBL5003385 0.81 CHEK1 (0.52) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL4995201 0.78 MAPT (0.44) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL4994249 0.76 CHEK1 (0.56) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL4993330 0.75 CHEK1 (0.57) SMN1; SMN2KMT2AMAPTALDH1A1NPC1
SCHEMBL4997015 0.74 NPY2R (0.42) KDM4EMAPTALDH1A1NPC1RAB9A

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C SMN1; SMN2 896/4885KMT2A 4601/4885KDM4E 3445/4885

“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.