SCHEMBL22597846

SCHEMBL22597846

C=Nc1ccccc1N(C)c1cncc(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SIRT2 Q8IXJ6 10/20 0.37
▸ SIRT3 Q9NTG7 10/20 0.37
▸ SIRT1 Q96EB6 9/20 0.37
▸ MKNK1 Q9BUB5 2/20 0.36
▸ MKNK2 Q9HBH9 2/20 0.36
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ SARM1 Q6SZW1 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ SIRT4 Q9Y6E7 1/20 0.35
▸ GRM5 P41594 4/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 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
SCHEMBL22597794 0.83 PARP1 (0.41) KDM4EALDH1A1KMT2A
SCHEMBL22598044 0.81 MAPT (0.39) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL22597760 0.73 KMT2A (0.39) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL22597763 0.73 ALDH1A1 (0.39) KDM4EALDH1A1KMT2A
SCHEMBL30811710 0.71 KDM4E (0.70) KDM4EMEN1ALDH1A1KMT2ASIRT2
SCHEMBL28462165 0.70 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2ASIRT2
SCHEMBL22598043 0.70 HSD17B1 (0.35) KDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL30811690 0.70 KDM4E (0.68) KDM4EMEN1ALDH1A1KMT2ASIRT2
SCHEMBL18373951 0.70 CHKA (0.37) MEN1ALDH1A1KMT2A
SCHEMBL22597814 0.69 BCAT2 (0.41) KDM4EALDH1A1KMT2A

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-20200339555-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-10-29 — — 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-20200339555-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF MYD88, C3AR1, FCGRT KDM4E 3983/4885MEN1 169/4885ALDH1A1 1860/4885

“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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