SCHEMBL23699889

SCHEMBL23699889

O=C(Nc1ccccc1)N(Cc1ccoc1)C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TP53 P04637 2/20 0.52
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.48
OPRK1 P41145 1/20 0.47
DCUN1D1 Q96GG9 9/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
UBE2M P61081 8/20 0.46
USP2 O75604 2/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GCGR P47871 1/20 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
SCHEMBL9256017 0.81 ALDH1A1 (0.66) ALDH1A1TP53ATMLMNADCUN1D1
Pencycuron SCHEMBL8817027 0.80 AGER (0.62) ALDH1A1TP53ATMLMNADCUN1D1
SCHEMBL11615939 0.80 ALDH1A1 (0.61) ALDH1A1TP53ATMLMNADCUN1D1
SCHEMBL23199925 0.80 ALDH1A1 (0.65) ALDH1A1TP53ATMLMNADCUN1D1
Pencycuron SCHEMBL22525 0.80 AGER (0.62) ALDH1A1TP53ATMLMNADCUN1D1
SCHEMBL11057174 0.80 AGER (0.62) ALDH1A1TP53ATMDCUN1D1UBE2M
SCHEMBL23699893 0.79 ALDH1A1 (0.63) ALDH1A1TP53ATMLMNADCUN1D1
SCHEMBL11621624 0.79 AGER (0.64) ALDH1A1TP53ATMLMNADCUN1D1
SCHEMBL10337815 0.78 DCUN1D1 (0.63) ALDH1A1DCUN1D1UBE2MGCGR
SCHEMBL7802288 0.78 DCUN1D1 (0.66) ALDH1A1DCUN1D1UBE2M

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 606/4885TP53 557/4885ATM 3204/4885

“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.