SCHEMBL6802549

SCHEMBL6802549

COCC(C(N)=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.58
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLS O94925 2/20 0.46
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.44
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL28615005 0.86 EPHX1 (0.54) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL2016945 0.85 CYP2C19 (0.52) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL28062414 0.82 EPHX1 (0.54) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL819828 0.81 KMT2A (0.58) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL819824 0.81 GLS (0.46) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL14232829 0.80 GLS (0.45) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL7555034 0.79 EPHX1 (0.63) EPHX1HPGDKMT2ACHRM1ALDH1A1
SCHEMBL27446150 0.79 EPHX1 (0.54) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL819324 0.79 MMP8 (0.51) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL5196291 0.79 GLS (0.53) SMN1; SMN2GLSHPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-12 US disclosed
US-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-08-12 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 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-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER GLS2, GLS, GLUL EPHX1 1980/4885CYP1A2 911/4885CYP2D6 819/4885
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLUL EPHX1 1980/4885CYP1A2 911/4885CYP2D6 819/4885

“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.