SCHEMBL30104666

SCHEMBL30104666

COc1cccc(CNC(N)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
MMP13 P45452 3/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HPGD P15428 3/20 0.64
KDM4E B2RXH2 1/20 0.64
USP2 O75604 1/20 0.64
POLB P06746 2/20 0.62
EPHX2 P34913 2/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
APEX1 P27695 1/20 0.59
RAB9A P51151 1/20 0.58

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
SCHEMBL8245692 1.00 ALDH1A1 (0.68) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL8642114 0.91 ALDH1A1 (0.58) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL4461230 0.88 ALDH1A1 (0.65) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL3815151 0.87 ALDH1A1 (0.72) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL17397649 0.86 EPHX2 (0.79) ALDH1A1HTTSMN1; SMN2HPGDPOLB
SCHEMBL2931410 0.85 MMP13 (0.70) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL660541 0.85 MMP13 (0.70) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL23771131 0.84 ALDH1A1 (0.65) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL21254127 0.84 ALDH1A1 (0.74) ALDH1A1MMP13HTTSMN1; SMN2HPGD
SCHEMBL875811 0.84 MTNR1A (0.63) ALDH1A1HTTSMN1; SMN2POLBRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025061176-A1 CYCLOALKANE-SUBSTITUTED AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2025-03-27 WO disclosed
CN-119661404-A Cycloalkane substituted amine derivative, preparation method and application thereof 上海科技大学 2025-03-21 CN disclosed
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2024-03-21 US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 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 (2 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-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D ALDH1A1 1084/4885MMP13 782/4885HTT 913/4885
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D ALDH1A1 1084/4885MMP13 782/4885HTT 913/4885

“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.