SCHEMBL17416855

SCHEMBL17416855

C#CCOc1ccc(C=CC(=O)c2ccc(N3CCN(Cc4ccc(OC)cc4)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.52
▸ HDAC3 O15379 3/20 0.52
▸ HDAC4 P56524 3/20 0.52
▸ HDAC7 Q8WUI4 3/20 0.52
▸ HDAC2 Q92769 3/20 0.52
▸ HDAC10 Q969S8 3/20 0.52
▸ HDAC11 Q96DB2 3/20 0.52
▸ HDAC8 Q9BY41 3/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.52
▸ HDAC9 Q9UKV0 3/20 0.52
▸ HDAC5 Q9UQL6 3/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ NFE2L2 Q16236 1/20 0.52
▸ MAOB P27338 5/20 0.51
▸ HRH2 P25021 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ F3 P13726 2/20 0.49
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 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
SCHEMBL16003861 1.00 HDAC1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL15995516 0.85 HRH3 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL15995513 0.85 HRH3 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL17429546 0.85 HDAC3 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL17429545 0.83 HRH3 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL32681076 0.83 MAOB (0.71) MAOBF3MAPTALDH1A1KMT2A
SCHEMBL17432040 0.80 KMT2A (0.59) HDAC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL5915378 0.79 MAPT (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5915510 0.79 MAPT (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20273267 0.79 KMT2A (0.58) HDAC1MAPTALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009692-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF FDC LIMITED (IN) 2016-01-14 — — 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-20160009692-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF ERG28, CYP51A1, CYP2E1 HDAC1 114/4885HDAC3 168/4885HDAC4 142/4885

“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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