SCHEMBL18070989

SCHEMBL18070989

N#Cc1ccc(NC(=O)c2cccnc2NC[C@@H]2CCC[C@H]2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.48
▸ KDR P35968 8/20 0.47
▸ RET P07949 1/20 0.47
▸ MAP3K20 Q9NYL2 1/20 0.47
▸ RIPK3 Q9Y572 1/20 0.47
▸ PDPK1 O15530 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL18070984 1.00 EGLN1 (0.48) EGLN1KDRRETMAP3K20RIPK3
SCHEMBL18049003 1.00 EGLN1 (0.48) EGLN1KDRRETMAP3K20RIPK3
SCHEMBL18070997 0.98 KDR (0.49) EGLN1KDRRETMAP3K20RIPK3
SCHEMBL18070932 0.98 KDR (0.49) EGLN1KDRRETMAP3K20RIPK3
SCHEMBL18070944 0.90 EGLN1 (0.51) EGLN1KDRMEN1MAPTKMT2A
SCHEMBL18070982 0.90 EGLN1 (0.51) EGLN1KDRMEN1MAPTKMT2A
SCHEMBL18070950 0.88 EGLN1 (0.51) EGLN1KDRMEN1MAPTKMT2A
SCHEMBL18070931 0.88 EGLN1 (0.51) EGLN1KDRMEN1MAPTKMT2A
SCHEMBL18048974 0.88 EGLN1 (0.51) EGLN1KDRMEN1MAPTKMT2A
SCHEMBL18070987 0.86 RET (0.41) EGLN1RETKMT2ACHRM1GAA

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
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
US-20150190400-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-07-09 — — 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-20150190400-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT EGLN1 4864/4885KDR 3714/4885RET 3934/4885

“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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