SCHEMBL22890837

SCHEMBL22890837

N=C(C(=O)c1ccccc1)C(=O)c1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
GAA P10253 1/20 0.58
CES2 O00748 5/20 0.46
CES1 P23141 4/20 0.46
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CFTR P13569 1/20 0.43
HSP90AA1 P07900 1/20 0.42
NTSR1 P30989 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MMP2 P08253 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL6691083 0.84 MAPT (0.67) MAPTGAACES2CES1ALDH1A1
Benzil SCHEMBL3796381 0.82 MAPT (0.64) MAPTGAACES2CES1ALDH1A1
SCHEMBL2877065 0.78 MAPT (0.58) MAPTGAACES2CES1ALDH1A1
SCHEMBL1885621 0.77 MAPT (0.60) MAPTGAACES2CES1ALDH1A1
SCHEMBL14948957 0.77 CES2 (0.68) MAPTCES2CES1ALDH1A1HSD17B10
SCHEMBL29723321 0.76 MAPT (0.59) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL2555043 0.76 MAPT (0.59) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL21430959 0.75 ALDH1A1 (0.58) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL2307166 0.74 MAPT (0.57) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL28746 0.74 MAPT (1.00) MAPTGAAALDH1A1HSD17B10CFTR

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-11566018-B2 Treatment of infectious disease THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-01-31 US disclosed
US-20210009563-A1 TREATMENT OF INFECTIOUS DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2021-01-14 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 (2 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-11566018-B2 Treatment of infectious disease INMT, MAVS, EIF2AK2 MAPT 3932/4885GAA 509/4885CES2 333/4885
US-20210009563-A1 TREATMENT OF INFECTIOUS DISEASE MAVS, EIF2AK2, INMT MAPT 3385/4885GAA 577/4885CES2 289/4885

“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.