SCHEMBL24189161

SCHEMBL24189161

COC(=O)/C(=C/c1ccc(-c2ccccc2)cc1Cl)N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30396411 1.00 ACLY (0.37) ACLYKDM4EMEN1MAPTKMT2A
SCHEMBL20536246 0.84 SMN1; SMN2 (0.37) ALDH1A1HDAC1HDAC8LMNASMN1; SMN2
SCHEMBL20536245 0.84 SMN1; SMN2 (0.37) ALDH1A1HDAC1HDAC8LMNASMN1; SMN2
SCHEMBL29015479 0.84 SMN1; SMN2 (0.37) ALDH1A1HDAC1HDAC8LMNASMN1; SMN2
SCHEMBL19343560 0.84 MAPT (0.40) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL26372679 0.83 GABRA1 (0.42) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL20535850 0.82 MAPT (0.35) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL19343270 0.82 SCD (0.38) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL20535851 0.82 MAPT (0.35) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL24113139 0.82 CA1 (0.39) MAPTSMN1; SMN2

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-20220009903-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-01-13 — — 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-20220009903-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 ACLY 3152/4885KDM4E 3205/4885MEN1 1494/4885

“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.

Send feedback