SCHEMBL30314741

SCHEMBL30314741

COC(=O)c1nnn2c1ccc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 1/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.40
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL25174275 0.81 HTT (0.41) SMN1; SMN2F2KDM4EMAPTALDH1A1
SCHEMBL23961102 0.75 EPHB3 (0.54) TP53CYP1A2SMN1; SMN2F2PLAU
SCHEMBL429347 0.73 KDM4E (0.37) TP53CYP1A2SMN1; SMN2PTGER4F2
SCHEMBL428070 0.72 KDM4E (0.41) TP53CYP1A2SMN1; SMN2PTGER4F2
SCHEMBL25413806 0.71 MAPT (0.49) TP53SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL14349691 0.71 SMN1; SMN2 (0.44) TP53CYP1A2SMN1; SMN2KDM4EMAPT
SCHEMBL14349828 0.70 ALDH1A1 (0.51) SMN1; SMN2ELANEKDM4EALDH1A1HTT
SCHEMBL11871719 0.68 TNKS (0.54) CYP1A2SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL11781121 0.68 THRB (0.57) TP53SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL19128517 0.67 ELANE (0.44) TP53CYP1A2SMN1; SMN2ELANEALDH1A1

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-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 US disclosed
EP-4436968-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2024-10-02 EP disclosed
CN-118201924-A Heterocyclic compounds and their use 万特斯治疗美国公司 2024-06-14 CN disclosed
WO-2023081441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2023-05-11 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-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 TP53 58/4885CYP1A2 121/4885SMN1; SMN2 1142/4885

“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.