SCHEMBL23645877

SCHEMBL23645877

S=C(Nc1cccnc1)NC1CCN(c2cc(Cl)ccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59

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
SCHEMBL30497699 1.00 ALDH1A1 (0.59) ALDH1A1
SCHEMBL23645894 0.86 ALDH1A1 (0.60) ALDH1A1
SCHEMBL30497717 0.86 ALDH1A1 (0.57) ALDH1A1
SCHEMBL23666146 0.86 ALDH1A1 (0.57) ALDH1A1
SCHEMBL30754321 0.85 ALDH1A1 (0.56) ALDH1A1
SCHEMBL30497701 0.85 ALDH1A1 (0.56) ALDH1A1
SCHEMBL23645956 0.85 ALDH1A1 (0.56) ALDH1A1
SCHEMBL23645887 0.85 ALDH1A1 (0.56) ALDH1A1
SCHEMBL23666092 0.85 ALDH1A1 (0.64) ALDH1A1
SCHEMBL23645923 0.84 ALDH1A1 (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897865-B2 ABHD12 inhibitors and methods of making and using same THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-13 US disclosed
EP-3793552-B1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME SCRIPPS RESEARCH INST (US) 2023-07-12 EP disclosed
EP-3793552-B1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME SCRIPPS RESEARCH INST (US) 2023-07-12 EP disclosed
US-20210221790-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-22 US disclosed
US-20210221790-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-22 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-11897865-B2 ABHD12 inhibitors and methods of making and using same ABHD12, SAMHD1, ABHD11 ALDH1A1 2729/4885
US-20210221790-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME ABHD12, SAMHD1, ABHD11 ALDH1A1 2729/4885

“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.