SCHEMBL17183293

SCHEMBL17183293

CNC(=O)CCCCC[C@H](NC(=O)Cc1cnc2ccccc2c1)c1ncc(-c2ccc(-n3cccn3)cc2)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.66
HDAC3 O15379 11/20 0.66
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
KCNH2 Q12809 2/20 0.45

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
SCHEMBL17183295 1.00 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL15707121 0.93 HDAC1 (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL15707193 0.84 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL17183296 0.84 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL17183294 0.82 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL15707465 0.82 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL17183427 0.81 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL17183425 0.81 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL17183352 0.80 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL15707060 0.80 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914589-B1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S P A (IT) 2017-08-30 EP disclosed
US-9365541-B2 Compounds for use in the treatment of parasitic diseases IRBM—SCIENCE PARK S.P.A. (IT) 2016-06-14 US disclosed
US-9365541-B2 Compounds for use in the treatment of parasitic diseases IRBM—SCIENCE PARK S.P.A. (IT) 2016-06-14 US disclosed
US-9365541-B2 Compounds for use in the treatment of parasitic diseases IRBM—SCIENCE PARK S.P.A. (IT) 2016-06-14 US disclosed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US disclosed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US disclosed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 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-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 HDAC1 3/4885HDAC3 1/4885HDAC2 10/4885

“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.