SCHEMBL25520148

SCHEMBL25520148

CC(C)OC(=O)N1CCCN(c2ncc(Br)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HRH3 Q9Y5N1 5/20 0.44
DPP4 P27487 1/20 0.39
DGAT1 O75907 1/20 0.38
GPR119 Q8TDV5 6/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR2 Q92731 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL25520144 0.80 HRH3 (0.56) HRH3DGAT1GPR119AAK1PDK2
SCHEMBL1199336 0.78 GPR119 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5987393 0.77 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22216826 0.76 ALDH1A1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28754873 0.75 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6202156 0.75 GPR119 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20789296 0.75 GPR119 (0.42) HRH3GPR119
SCHEMBL14157431 0.72 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2654623 0.72 TSHR (0.40) GPR119PDK2
SCHEMBL19435033 0.71 RAB9A (0.46) TP53

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-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 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-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM HDAC3 1241/4885HDAC4 1654/4885HDAC1 778/4885

“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.