SCHEMBL20680256

SCHEMBL20680256

COC(=O)CC(=O)Nc1ccc(I)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL20680373 0.84 MEN1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL16651569 0.82 KMT2A (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL10628983 0.81 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL16662129 0.80 HTT (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL31554491 0.79 KMT2A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL13686435 0.79 CA1 (0.44)
SCHEMBL3219456 0.78 IDO1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL4192284 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6663354 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL1976584 0.74 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 US disclosed
EP-3658586-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2020-06-03 EP disclosed
CN-111108127-A Compounds that specifically bind CD38 for use in the treatment of neurodegenerative and inflammatory diseases ENCEFA公司 2020-05-05 CN disclosed
WO-2019020643-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2019-01-31 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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 MEN1 3736/4885KMT2A 3545/4885ALDH1A1 2501/4885

“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.