SCHEMBL23722904

SCHEMBL23722904

O=C(NC1CN2CCC1CC2)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.63
CYP3A4 P08684 1/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CHRNA7 P36544 4/20 0.57
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
KLK7 P49862 1/20 0.56
KMT2A Q03164 1/20 0.56
CHEK1 O14757 2/20 0.55

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
SCHEMBL1460522 0.81 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7122170 0.81 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL1459742 0.81 HTR3A (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5266545 0.79 HTR3A (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL23722866 0.79 KDM4E (0.67) USP30CYP3A4KDM4ESMN1; SMN2KLK7
SCHEMBL14970878 0.79 KDM4E (0.75) USP30CYP3A4KDM4ESMN1; SMN2KLK7
SCHEMBL2951170 0.78 HTR3A (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL18115676 0.78 USP30 (1.00) USP30KDM4ESMN1; SMN2KLK7KMT2A
SCHEMBL29779110 0.78 USP30 (1.00) USP30KDM4ESMN1; SMN2KLK7KMT2A
SCHEMBL6655690 0.77 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D

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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT USP30 3750/4885CYP3A4 856/4885KDM4E 2146/4885

“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.