SCHEMBL19962798

SCHEMBL19962798

C#CCn1c(=O)cc(C)c2ccc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NQO2 P16083 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 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
SCHEMBL12517905 0.77 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL15161179 0.77 ALDH1A1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10285329 0.74 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL23153394 0.74 L3MBTL1 (0.40) KDM4EALDH1A1MAPTGAACA12
SCHEMBL2358278 0.73 NQO2 (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12519128 0.73 KDM4E (0.59) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17897095 0.73 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12517908 0.73 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL23723240 0.72 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17897171 0.72 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1HPGD

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 MEN1 324/4885KMT2A 3881/4885KDM4E 2013/4885

“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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