SCHEMBL26818584

SCHEMBL26818584

C=C(N)Cn1cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.59
▸ CYP11B1 P15538 2/20 0.53
▸ CYP11B2 P19099 2/20 0.53
▸ TNF P01375 1/20 0.53
▸ EGLN3 Q9H6Z9 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CA13 Q8N1Q1 2/20 0.51
▸ ALPL P05186 2/20 0.50
▸ ALPG P10696 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL7160203 0.84 TDP1 (0.61) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL2882482 0.83 TDP1 (0.59) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL1038315 0.83 KDM4E (0.69) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL7732690 0.83 TDP1 (0.59) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL8017568 0.80 TDP1 (0.56) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL3862944 0.80 TDP1 (0.70) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL30038122 0.80 TDP1 (0.70) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL11498670 0.79 KDM4E (0.56) KDM4ENPC1TDP1CYP11B1CYP11B2
SCHEMBL1035783 0.77 EGLN3 (0.71) KDM4ENPC1TDP1CYP11B1CYP11B2
Hydrogen Sulfide SCHEMBL28767930 0.76 EGLN3 (0.69) KDM4ENPC1TDP1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING Changzhou University (CN) 2023-11-30 — — 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-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING PTMS, CBS, CHAMP1 KDM4E 4700/4885NPC1 4725/4885TDP1 4627/4885

“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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