SCHEMBL4175139

SCHEMBL4175139

O=C(CC1Sc2ccccc2NC1=O)NCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.78
MEN1 O00255 3/20 0.78
HTT P42858 2/20 0.78
HSD17B10 Q99714 3/20 0.67
GLA P06280 1/20 0.67
LMNA P02545 2/20 0.67
PKM P14618 1/20 0.63
CYP2D6 P10635 1/20 0.61
MAPT P10636 3/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
TSHR P16473 1/20 0.56
TP53 P04637 1/20 0.55

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
SCHEMBL4321662 0.83 HSD17B10 (0.72) KMT2AMEN1HTTHSD17B10GLA
SCHEMBL3921265 0.82 ALDH1A1 (0.60) KMT2AMEN1HTTHSD17B10LMNA
SCHEMBL944712 0.82 HSD17B10 (0.70) KMT2AMEN1HTTHSD17B10GLA
SCHEMBL4328755 0.81 HSD17B10 (1.00) KMT2AMEN1HTTHSD17B10GLA
SCHEMBL22663543 0.79 HSD17B10 (0.58) KMT2AMEN1HTTHSD17B10GLA
SCHEMBL4337758 0.79 HSD17B10 (0.74) KMT2AMEN1HTTHSD17B10GLA
SCHEMBL3627843 0.77 HSD17B10 (0.66) KMT2AMEN1HTTHSD17B10GLA
SCHEMBL13873953 0.76 HSD17B10 (1.00) KMT2AMEN1HTTHSD17B10GLA
SCHEMBL7492042 0.75 POLB (0.66) KMT2AMEN1HTTLMNAMAPT
SCHEMBL7492048 0.75 POLB (0.66) KMT2AMEN1HTTLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-06-25 US disclosed
US-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-06-25 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-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides LNPEP, CLSPN, GALNT14 KMT2A 4163/4885MEN1 2100/4885HTT 788/4885

“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.