SCHEMBL23200081

SCHEMBL23200081

CCCN(Cc1ccc(C)o1)C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
EGFR P00533 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL23200223 0.90 MEN1 (0.51) POLBALDH1A1NPSR1MEN1KMT2A
SCHEMBL10596118 0.80 ALDH1A1 (0.61) POLBALDH1A1NPSR1HDAC6HDAC3
SCHEMBL23200035 0.78 TSHR (0.53) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL25230837 0.77 NPSR1 (0.60) ALDH1A1NPSR1HDAC6HDAC3HDAC1
SCHEMBL9831966 0.76 MAPT (0.48) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL23200022 0.76 DCUN1D1 (0.61) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL13900239 0.75 ALDH1A1 (0.51) POLBALDH1A1NPSR1HDAC6HDAC3
SCHEMBL23200025 0.75 UBE2M (0.60) POLBALDH1A1NPSR1MAPTPKM
SCHEMBL14228915 0.75 HDAC6 (0.62) ALDH1A1NPSR1HDAC6HDAC3HDAC1
SCHEMBL23200048 0.74 ALDH1A1 (0.61) POLBALDH1A1NPSR1MAPTPKM

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 POLB 2610/4885ALDH1A1 606/4885NPSR1 786/4885

“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.