SCHEMBL11259705

SCHEMBL11259705

CN(C)C=NC(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
APP P05067 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL11259703 1.00 ALDH1A1 (0.49) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL10406165 0.81 ALDH1A1 (0.41) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL10406164 0.81 ALDH1A1 (0.41) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL1919347 0.80 HTT (0.51) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL1919344 0.80 HTT (0.51) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL3272288 0.80 HTT (0.51) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL3479004 0.80 HCAR2 (0.42) ALDH1A1GAAHCAR2MEN1KMT2A
SCHEMBL3479005 0.80 HCAR2 (0.42) ALDH1A1GAAHCAR2MEN1KMT2A
SCHEMBL1289017 0.79 KDM4E (0.56) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL8514348 0.79 KDM4E (0.56) ALDH1A1GAAMEN1KMT2ARAB9A

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
US-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
EP-0051084-A1 Substituted 1H-1,2,4-triazoles AMERICAN CYANAMID COMPANY (US) 1982-05-12 EP disclosed
US-4329463-A ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1982-05-11 US disclosed
US-4259504-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-31 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-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 IRAK4, IRAK2, IRAK3 ALDH1A1 3457/4885GAA 2944/4885APP 2015/4885

“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.