SCHEMBL18505712

SCHEMBL18505712

CON(C)C(=O)Cc1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ FAAH O00519 1/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL12457520 0.82 BCHE (0.36) HDAC4HDAC6FAAHPRMT3KDM4E
SCHEMBL1483401 0.80 KDM4E (0.41) KDM4EHPGDHSD17B10SMN1; SMN2KEAP1
SCHEMBL16330628 0.80 HDAC4 (0.37) HDAC4HDAC6FAAHPRMT3SMN1; SMN2
SCHEMBL19251150 0.80 FAAH (0.37) HDAC4HDAC6FAAHPRMT3KDM4E
SCHEMBL12459149 0.78 HDAC4 (0.36) HDAC4HDAC6FAAHPRMT3SMN1; SMN2
SCHEMBL20346367 0.77 NAPRT (0.44) HDAC4HDAC6KDM4ELMNA
SCHEMBL13496135 0.76 ALDH1A1 (0.41) HDAC4HDAC6KDM4EHPGDHSD17B10
SCHEMBL3113809 0.76 CASP3 (0.41) HDAC4HDAC6FAAHKDM4ESMN1; SMN2
SCHEMBL20955519 0.75 CYP1A2 (0.51) FAAHHPGDHSD17B10ALDH1A1HIF1A
SCHEMBL16320737 0.73 HDAC4 (0.48) HDAC4HDAC6PRMT3SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957270-B2 Fused pyrimidine-based hydroxamate derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-01 — — US disclosed
US-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-16 — — 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-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives HDAC1, HDAC2, HDAC5 HDAC4 8/4885HDAC6 11/4885FAAH 2939/4885

“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.

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