SCHEMBL4155326

SCHEMBL4155326

NC(=O)c1ccc(Oc2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CTNNB1 P35222 1/20 0.47
KLKB1 P03952 1/20 0.46
SLC9A1 P19634 1/20 0.43
FFAR1 O14842 1/20 0.42
FAAH O00519 1/20 0.41
SRD5A2 P31213 2/20 0.41
MAPK1 P28482 2/20 0.40
LTA4H P09960 1/20 0.40
TSHR P16473 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
SCHEMBL2851741 0.85 NPSR1 (0.51) NPSR1MAPTALDH1A1KLKB1FFAR1
SCHEMBL14864597 0.82 NPSR1 (0.49) NPSR1MAPTALDH1A1KLKB1FFAR1
SCHEMBL3053443 0.82 NPSR1 (0.52) PARP10NPSR1MAPTALDH1A1KLKB1
SCHEMBL4155325 0.81 ALDH1A1 (0.45) PARP10NPSR1MAPTALDH1A1KLKB1
SCHEMBL13687506 0.78 NPSR1 (0.46) NPSR1MAPTALDH1A1KLKB1FFAR1
SCHEMBL6157961 0.78 ALDH1A1 (0.71) NPSR1MAPTALDH1A1KLKB1SLC9A1
SCHEMBL14339571 0.73 LMNA (0.62) NPSR1MAPTALDH1A1TSHR
Diphenylether SCHEMBL10618785 0.71 PARP10 (0.71) PARP10ALDH1A1CTNNB1FFAR1SRD5A2
Diphenylether SCHEMBL8165466 0.71 PARP10 (0.71) PARP10ALDH1A1CTNNB1FFAR1SRD5A2
SCHEMBL20708901 0.71 MAOA (0.46) PARP10KLKB1LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PARP10 796/4885NPSR1 1768/4885MAPT 4227/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PARP10 3140/4885NPSR1 2692/4885MAPT 4111/4885

“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.