SCHEMBL19962797

SCHEMBL19962797

C#CCn1c(=O)cc(C)c2ccc(NC(=O)CCl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ HTT P42858 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.42
▸ MITF O75030 1/20 0.42
▸ HPGD P15428 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ GSTO1 P78417 1/20 0.39
▸ MAOB P27338 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL23153394 0.84 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTMAOB
SCHEMBL23153395 0.75 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL19962831 0.75 POLB (0.36) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL19962798 0.74 MEN1 (0.40) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL23130699 0.71 MEN1 (0.33) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL23130687 0.68 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL6030738 0.67 POLB (0.76) ALDH1A1SMN1; SMN2HTTLMNAMITF
SCHEMBL29417999 0.67 POLB (0.76) ALDH1A1SMN1; SMN2HTTLMNAMITF
SCHEMBL4006392 0.64 HPGD (0.69) ALDH1A1SMN1; SMN2HTTLMNAMITF
SCHEMBL7081917 0.64 NPC1 (0.61) ALDH1A1SMN1; SMN2HTTLMNAMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — US disclosed
US-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — US disclosed
WO-2018048879-A1 METAL CHELATORS FOR IMAGING, THERAPEUTICS, AND BIOANALYSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-15 — — 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-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis TBCA, SLC39A3, TBL3 ALDH1A1 3272/4885SMN1; SMN2 3559/4885HTT 1361/4885

“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.

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