SCHEMBL23699893

SCHEMBL23699893

O=C(Nc1ccccc1)N(Cc1ccco1)C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
UBE2M P61081 7/20 0.57
DCUN1D1 Q96GG9 7/20 0.57
TSHR P16473 3/20 0.54
TP53 P04637 1/20 0.53
THRB P10828 2/20 0.53
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATM Q13315 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.50
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL23200060 0.84 UBE2M (0.67) ALDH1A1UBE2MDCUN1D1TSHRTP53
SCHEMBL23200068 0.81 ALDH1A1 (0.54) ALDH1A1TSHRTP53THRBLMNA
SCHEMBL23200048 0.81 ALDH1A1 (0.61) ALDH1A1UBE2MDCUN1D1TP53LMNA
SCHEMBL3482704 0.80 ALDH1A1 (0.62) ALDH1A1TP53NPSR1ATMUSP2
SCHEMBL23699889 0.79 ALDH1A1 (0.62) ALDH1A1UBE2MDCUN1D1TP53LMNA
SCHEMBL23200025 0.79 UBE2M (0.60) ALDH1A1UBE2MDCUN1D1TP53LMNA
SCHEMBL23200067 0.78 ALDH1A1 (0.57) ALDH1A1UBE2MDCUN1D1TP53LMNA
SCHEMBL23199954 0.78 ALDH1A1 (0.57) ALDH1A1UBE2MDCUN1D1TP53LMNA
SCHEMBL23200239 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTP53THRBLMNA
SCHEMBL9256017 0.77 ALDH1A1 (0.66) ALDH1A1UBE2MDCUN1D1TP53LMNA

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 3 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
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

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 606/4885UBE2M 3929/4885DCUN1D1 1039/4885

“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.