SCHEMBL24629942

SCHEMBL24629942

CNCC(=O)Nc1ccn(C)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.47
▸ CA2 P00918 7/20 0.47
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TERT O14746 1/20 0.42
▸ PRMT3 O60678 1/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ PRMT8 Q9NR22 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ GAA P10253 1/20 0.37

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
Hydrochloric Acid SCHEMBL29769147 0.98 CA1 (0.46) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL26790020 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL24630279 0.83 TERT (0.51) CA1CA2ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL27203949 0.82 TERT (0.42) ALDH1A1KDM4EMAPTHPGDTERT
SCHEMBL24629914 0.82 ALDH1A1 (0.46) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL24630280 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDTERT
SCHEMBL29769078 0.78 SMN1; SMN2 (0.51) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL24630017 0.76 CA1 (0.40) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL24629837 0.75 CA1 (0.41) CA1CA2ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL29769076 0.74 CA1 (0.40) CA1CA2ALDH1A1KDM4EMAPT

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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 — — US disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 — — WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 — — 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT CA1 3932/4885CA2 3725/4885ALDH1A1 188/4885

“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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