SCHEMBL23718858

SCHEMBL23718858

C[C@H](NC(=O)Nc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.79
MTOR P42345 1/20 0.72
NPC1 O15118 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.52
CNR1 P21554 3/20 0.52
EPHX2 P34913 1/20 0.51
POLB P06746 1/20 0.51
MAOB P27338 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.49

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
SCHEMBL23199937 1.00 HSD17B10 (0.79) HSD17B10MTORNPC1KMT2AALDH1A1
SCHEMBL9306555 0.89 HSD17B10 (1.00) HSD17B10MTORKMT2AALDH1A1CYP2C9
SCHEMBL9306563 0.89 HSD17B10 (1.00) HSD17B10MTORKMT2AALDH1A1CYP2C9
SCHEMBL12994662 0.86 KMT2A (0.61) HSD17B10MTORNPC1KMT2AMEN1
SCHEMBL21793242 0.86 KMT2A (0.61) HSD17B10MTORNPC1KMT2AALDH1A1
SCHEMBL28041623 0.85 CNR1 (0.60) HSD17B10MTORKMT2AALDH1A1CNR1
SCHEMBL28041622 0.85 CNR1 (0.60) HSD17B10MTORKMT2AALDH1A1CNR1
SCHEMBL16942608 0.83 HSD17B10 (0.81) HSD17B10MTORNPC1KMT2ACYP2C9
SCHEMBL16942602 0.83 HSD17B10 (0.81) HSD17B10MTORNPC1KMT2ACYP2C9
SCHEMBL2408891 0.81 KMT2A (0.56) HSD17B10MTORNPC1KMT2AALDH1A1

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 1 patent. 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 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 HSD17B10 972/4885MTOR 283/4885NPC1 3173/4885

“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.