SCHEMBL8860069

SCHEMBL8860069

C=C(O)c1ccc(C)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TDP1 Q9NUW8 4/20 0.61
ALDH1A1 P00352 5/20 0.48
CASP1 P29466 2/20 0.48
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2 P00734 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GRM1 Q13255 2/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL13636369 0.83 TDP1 (0.61) MAPTTDP1ALDH1A1CASP1CYP3A4
SCHEMBL18866954 0.83 MAPT (0.61) MAPTTDP1ALDH1A1CASP1CYP3A4
SCHEMBL902913 0.79 PRSS1 (0.52) MAPTTDP1ALDH1A1TSHRPRSS1
SCHEMBL377075 0.78 MAPT (0.73) MAPTTDP1ALDH1A1CASP1TSHR
SCHEMBL20836577 0.78 TDP1 (0.55) MAPTTDP1ALDH1A1CASP1CYP3A4
SCHEMBL13783388 0.76 MAPT (0.76) MAPTTDP1ALDH1A1CASP1CYP3A4
SCHEMBL25882981 0.75 MAPT (0.47) MAPTTDP1ALDH1A1CASP1CYP3A4
SCHEMBL284729 0.74 TDP1 (0.73) MAPTTDP1ALDH1A1CASP1CYP3A4
SCHEMBL13495684 0.74 TDP1 (0.61) MAPTTDP1ALDH1A1CASP1CYP3A4
SCHEMBL571550 0.74 MAPT (0.73) MAPTTDP1ALDH1A1CASP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649213-B2 Synthetic method for the preparation of a 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol compound MEREO BIOPHARMA 1 LIMITED (GB) 2023-05-16 US disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
WO-2009152200-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-12-17 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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-11649213-B2 Synthetic method for the preparation of a 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol compound SLC1A5, BCAT2, CYP3A5 MAPT 3799/4885TDP1 4177/4885ALDH1A1 2990/4885

“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.