SCHEMBL23199934

SCHEMBL23199934

Cc1ccc(CN(C(=O)Nc2ncc(Br)s2)C2CCCC2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 1/20 0.42
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ FPR3 P25089 3/20 0.39
▸ FPR2 P25090 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38

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
SCHEMBL23200204 0.79 LMNA (0.50) LMNAGAAUBE2MDCUN1D1FPR2
SCHEMBL23200072 0.78 ADORA1 (0.59) LMNAGAAUBE2MDCUN1D1ALDH1A1
SCHEMBL23200095 0.78 LMNA (0.48) LMNAGAAUBE2MDCUN1D1PKM
SCHEMBL23199964 0.77 UBE2M (0.47) LMNAGAAUBE2MDCUN1D1PKM
SCHEMBL23200224 0.77 ALDH1A1 (0.50) LMNAGAAUBE2MDCUN1D1PKM
SCHEMBL23200048 0.76 ALDH1A1 (0.61) LMNAGAAUBE2MDCUN1D1PKM
SCHEMBL23200034 0.76 LMNA (0.46) LMNAGAAUBE2MDCUN1D1PKM
SCHEMBL23200222 0.76 LMNA (0.51) LMNAGAAUBE2MDCUN1D1PKM
SCHEMBL23200025 0.75 UBE2M (0.60) LMNAGAAUBE2MDCUN1D1PKM
SCHEMBL23200154 0.75 LMNA (0.50) LMNAGAAUBE2MDCUN1D1PKM

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 4541/4885GAA 1248/4885UBE2M 3929/4885

“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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