SCHEMBL4895887

SCHEMBL4895887

C=C(CN1CCN(c2ccccn2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HDAC1 Q13547 8/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53

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
SCHEMBL14066526 0.84 HDAC1 (0.71) ALDH1A1SMN1; SMN2MAPTHDAC1HDAC3
SCHEMBL4260699 0.82 HDAC1 (0.50) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4260702 0.82 HDAC1 (0.50) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4895567 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPT
SCHEMBL2733603 0.81 KDM4E (0.62) ALDH1A1SMN1; SMN2CYP3A4CYP2C9L3MBTL1
SCHEMBL4897570 0.80 HDAC1 (0.66) ALDH1A1SMN1; SMN2MAPTHDAC1HDAC3
SCHEMBL4896072 0.79 HDAC1 (0.68) ALDH1A1SMN1; SMN2MAPTHDAC1HDAC3
SCHEMBL14066528 0.78 HDAC1 (0.66) ALDH1A1SMN1; SMN2MAPTHDAC1HDAC3
SCHEMBL4896610 0.78 ADRA1D (0.59) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4898854 0.78 HDAC1 (0.57) ALDH1A1SMN1; SMN2CYP3A4MAPTCYP2C9

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 POLB 1108/4885ALDH1A1 1078/4885SMN1; SMN2 4631/4885

“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.