SCHEMBL4895567

SCHEMBL4895567

C=C(CN1CCN(c2ccccc2F)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
HDAC1 Q13547 6/20 0.55
HDAC3 O15379 4/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
NPSR1 Q6W5P4 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4890445 0.88 HDAC1 (0.52) ALDH1A1TSHRHSD17B10HDAC1HDAC3
SCHEMBL4897570 0.86 HDAC1 (0.66) ALDH1A1TSHRHSD17B10HDAC1HDAC3
SCHEMBL4896610 0.86 ADRA1D (0.59) ALDH1A1TSHRHDAC1HDAC3HDAC2
SCHEMBL14066526 0.86 HDAC1 (0.71) ALDH1A1TSHRHSD17B10HDAC1HDAC3
SCHEMBL4898854 0.84 HDAC1 (0.57) ALDH1A1TSHRHSD17B10HDAC1HDAC3
SCHEMBL4892032 0.82 HDAC1 (0.60) ALDH1A1TSHRHSD17B10HDAC1HDAC3
SCHEMBL4895887 0.81 POLB (0.57) ALDH1A1TSHRHDAC1HDAC3HDAC2
SCHEMBL4896072 0.81 HDAC1 (0.68) ALDH1A1HDAC1HDAC3HDAC2HDAC4
SCHEMBL4898506 0.81 PTGS1 (0.57) ALDH1A1HDAC1HDAC3HDAC2HDAC4
SCHEMBL14066528 0.80 HDAC1 (0.66) ALDH1A1TSHRHSD17B10HDAC1HDAC3

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-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO 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-20080234254-A1 Inhibitors of Histone Deacetylase HDAC8, HDAC4, HDAC5 ALDH1A1 1078/4885TSHR 2980/4885HSD17B10 336/4885

“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.