SCHEMBL29533935

SCHEMBL29533935

NC(=O)c1nccnc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
TGFBR1 P36897 1/20 0.44
TGFBR2 P37173 1/20 0.44
HCRTR2 O43614 3/20 0.43
HCRTR1 O43613 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL2465495 1.00 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29988036 1.00 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
Trifluoroacetic Acid SCHEMBL29907715 0.91 L3MBTL1 (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17714402 0.84 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29907558 0.84 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5669765 0.84 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17859440 0.82 ALDH1A1 (0.48) KDM4ELMNACCR1CCR5CCR8
Iodide SCHEMBL29411861 0.81 ALDH1A1 (0.47) KDM4ELMNACCR1CCR5CCR8
Iodide SCHEMBL28502151 0.81 ALDH1A1 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3620548 0.79 GRM5 (0.51) KDM4ELMNACCR1CCR5CCR8

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-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 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-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 KDM4E 853/4885LMNA 1856/4885CCR1 4018/4885

“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.