SCHEMBL4522796

SCHEMBL4522796

O=C(NCCCCBr)c1cc2ccccc2o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.74
HDAC3 O15379 3/20 0.74
HDAC2 Q92769 2/20 0.74
HDAC4 P56524 1/20 0.74
HDAC7 Q8WUI4 1/20 0.74
HDAC10 Q969S8 1/20 0.74
HDAC11 Q96DB2 1/20 0.74
HDAC8 Q9BY41 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
HDAC5 Q9UQL6 1/20 0.74
MMP13 P45452 1/20 0.63
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
ACKR3 P25106 1/20 0.61
OPRM1 P35372 1/20 0.61
OPRK1 P41145 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61

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
SCHEMBL4518602 0.87 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL5089680 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL31235656 0.85 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL9212451 0.85 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7742536 0.83 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL31746240 0.82 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7734745 0.81 HDAC1 (0.90) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2242298 0.80 SMN1; SMN2 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL5803935 0.80 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL416296 0.80 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409621-B Targeted dopamine D 3 Diagnosis and treatment medicine for receptor and application thereof 江苏省原子医学研究所 2023-09-08 CN claimed
CN-114409621-A Targeted dopamine D3Receptor diagnosis and treatment medicine and application thereof 江苏省原子医学研究所 2022-04-29 CN claimed
CN-114409621-B Targeted dopamine D 3 Diagnosis and treatment medicine for receptor and application thereof 江苏省原子医学研究所 2023-09-08 CN disclosed
CN-114409621-A Targeted dopamine D3Receptor diagnosis and treatment medicine and application thereof 江苏省原子医学研究所 2022-04-29 CN disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 HDAC1 2598/4885HDAC3 868/4885HDAC2 684/4885

“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.