SCHEMBL23200007

SCHEMBL23200007

Cc1ccc(CN(C(=O)Nc2nc(-c3ccccn3)cs2)C2CCCC2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ MAPT P10636 8/20 0.56
▸ L3MBTL1 Q9Y468 7/20 0.56
▸ KDM4E B2RXH2 7/20 0.56
▸ TDP1 Q9NUW8 4/20 0.56
▸ RAB9A P51151 4/20 0.55
▸ ADORA3 P0DMS8 4/20 0.55
▸ LMNA P02545 6/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HTT P42858 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 3/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ KDM4A O75164 1/20 0.46
▸ KDM4B O94953 1/20 0.46
▸ KDM5B Q9UGL1 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HSP90AA1 P07900 2/20 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
SCHEMBL23200021 0.88 LMNA (0.49) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL23699971 0.80 LMNA (0.44) ALDH1A1MAPTL3MBTL1KDM4ERAB9A
SCHEMBL23200072 0.79 ADORA1 (0.59) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL23200048 0.76 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL23199934 0.75 LMNA (0.46) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL23200025 0.74 UBE2M (0.60) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL23200224 0.74 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL23199936 0.72 UBE2M (0.54) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL23200095 0.71 LMNA (0.48) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL23200022 0.71 DCUN1D1 (0.61) ALDH1A1KDM4ELMNAHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 — — EP claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 — — US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 — — US disclosed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 — — EP 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ALDH1A1 606/4885MAPT 128/4885L3MBTL1 1291/4885

“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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