SCHEMBL23613634

SCHEMBL23613634

CCN(CC)CCN(C)c1ccc(N=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10289586 0.86 HRH3 (0.36) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL20332702 0.76 NOS3 (0.37) KCNH2MCHR1ALDH1A1KDM4ETSHR
SCHEMBL29475465 0.76 NOS3 (0.37) KCNH2MCHR1ALDH1A1KDM4ETSHR
SCHEMBL23334546 0.74 MAPT (0.42) KCNH2MCHR1
SCHEMBL22584934 0.68 KDM4E (0.36) KCNH2ALDH1A1KDM4E
SCHEMBL30202175 0.68 KDM4E (0.36) KCNH2ALDH1A1KDM4E
SCHEMBL14174806 0.68 ALDH1A1 (0.44) KCNH2MCHR1ALDH1A1KDM4ETSHR
SCHEMBL6384525 0.67 ALDH1A1 (0.55) KCNH2MCHR1ALDH1A1KDM4ETSHR
SCHEMBL10888104 0.66 MEN1 (0.41) KCNH2MCHR1
SCHEMBL10893135 0.65 KCNH2 (0.48) KCNH2MCHR1ALDH1A1KDM4ETSHR

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-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-07-06 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-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof CDK6, CDK4, CDK3 KCNH2 4279/4885MCHR1 4523/4885ALDH1A1 1568/4885

“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.