SCHEMBL21210723

SCHEMBL21210723

CCCCCCCCNC(=O)c1cc[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
GPR84 Q9NQS5 2/20 0.49
HPGD P15428 2/20 0.47
MLYCD O95822 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL15861759 0.98 NAAA (0.51) NAAAKDM4EL3MBTL1GPR84HPGD
SCHEMBL5767559 0.94 HTT (0.51) NAAAKDM4EL3MBTL1GPR84HPGD
SCHEMBL3144624 0.80 CNR1 (0.41) KDM4EL3MBTL1LMNASMN1; SMN2NPSR1
SCHEMBL22372130 0.80 HPGD (0.52) KDM4EL3MBTL1HPGDALDH1A1LMNA
SCHEMBL24688731 0.78 PLA2G2C (0.40)
SCHEMBL25767541 0.77 KMT2A (0.43) NAAAKDM4EL3MBTL1TSHR
SCHEMBL13299193 0.77 POLB (0.56) HPGDALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL30545065 0.76 HPGD (0.64) NAAAKDM4EL3MBTL1HPGDMLYCD
SCHEMBL18896205 0.75 HDAC3 (0.77) NAAAKDM4EL3MBTL1GPR84ALDH1A1
SCHEMBL29126825 0.74 ALDH1A1 (0.55) KDM4EL3MBTL1GPR84ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 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 (2 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-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 NAAA 3292/4885KDM4E 2118/4885L3MBTL1 902/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR NAAA 2404/4885KDM4E 3944/4885L3MBTL1 2553/4885

“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.