SCHEMBL6038034

SCHEMBL6038034

Nc1ccc(SCC(=O)NCCCCCNC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.61
▸ HDAC1 Q13547 6/20 0.60
▸ HDAC2 Q92769 5/20 0.60
▸ HDAC3 O15379 5/20 0.60
▸ HDAC4 P56524 4/20 0.60
▸ HDAC7 Q8WUI4 4/20 0.60
▸ HDAC10 Q969S8 4/20 0.60
▸ HDAC11 Q96DB2 4/20 0.60
▸ HDAC8 Q9BY41 4/20 0.60
▸ HDAC6 Q9UBN7 4/20 0.60
▸ HDAC9 Q9UKV0 4/20 0.60
▸ HDAC5 Q9UQL6 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.58
▸ DRD2 P14416 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ HTR2C P28335 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL27550290 0.80 AKR1C3 (0.86) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL6483696 0.77 AKR1C3 (1.00) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL6475009 0.77 AKR1C3 (1.00) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL27891708 0.76 KDM4E (0.64) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL19837655 0.76 DRD2 (0.90) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL6473590 0.76 AKR1C3 (0.78) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL6481222 0.76 AKR1C3 (0.78) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL19837643 0.76 DRD2 (0.90) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL6481636 0.76 AKR1C3 (0.97) AKR1C3HDAC1HDAC2HDAC3HDAC4
SCHEMBL12672868 0.75 HDAC1 (1.00) AKR1C3HDAC1HDAC2HDAC3HDAC4

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — US claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 AKR1C3 2200/4885HDAC1 1/4885HDAC2 5/4885

“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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