SCHEMBL30764256

SCHEMBL30764256

CN1CCN(c2ccnc3ccc([S+](C)[O-])cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.44
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ADRB2 P07550 2/20 0.39

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
SCHEMBL24151230 0.79 ADRB2 (0.58) NCF1MEN1GLAGAAKMT2A
SCHEMBL3847734 0.78 NCF1 (0.70) NCF1MEN1GLAGAAKMT2A
SCHEMBL3947682 0.78 KDM4E (0.51) NCF1MEN1GLAGAAKMT2A
SCHEMBL12928129 0.78 NCF1 (0.48) NCF1MEN1GLAGAAKMT2A
SCHEMBL13827009 0.78 NCF1 (0.48) NCF1MEN1GLAGAAKMT2A
Hydrochloric Acid SCHEMBL7531114 0.77 KDM4E (0.54) NCF1MEN1GLAGAAKMT2A
SCHEMBL7467872 0.75 EIF2AK2 (0.55) MEN1GAAKMT2ACYP3A4HRH3
SCHEMBL10268352 0.74 NCF1 (0.67) NCF1KMT2AKCNH2ADRB2METAP1
SCHEMBL16288863 0.72 SMN1; SMN2 (0.46) HTR1AHSD17B10MAPKAPK2
SCHEMBL4009656 0.71 DYRK1B (0.39) MEN1KMT2AHTR1AALOX15HSD17B10

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-11884647-B2 Compounds and methods for targeting pathogenic blood vessels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-30 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-11884647-B2 Compounds and methods for targeting pathogenic blood vessels TEK, KDR, LIPG NCF1 974/4885MEN1 2514/4885GLA 1344/4885

“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.