SCHEMBL23200021

SCHEMBL23200021

Cc1ccc(CN(C(=O)Nc2nc(-c3ccccc3)cs2)C2CCCC2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ ELOVL1 Q9BW60 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL23200007 0.88 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL23699971 0.82 LMNA (0.44) LMNAALDH1A1NPC1MAPTKDM4E
SCHEMBL23200072 0.81 ADORA1 (0.59) LMNAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL23199936 0.80 UBE2M (0.54) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL23200048 0.80 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL23200025 0.79 UBE2M (0.60) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL23699941 0.78 KDM4E (0.50) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL23699908 0.76 POLB (0.46) LMNAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL23200022 0.75 DCUN1D1 (0.61) LMNAALDH1A1KDM4EHPGDUBE2M
SCHEMBL23200224 0.74 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 — — US claimed
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 LMNA 4541/4885ALDH1A1 606/4885SMN1; SMN2 3779/4885

“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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