SCHEMBL3275528

SCHEMBL3275528

COC(=O)c1cn(CO)nn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 2/20 0.43
NOTUM Q6P988 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 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
SCHEMBL2027803 0.86 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7424494 0.86 ALDH1A1 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5655219 0.83 ALDH1A1 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12416491 0.83 ALDH1A1 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12197531 0.81 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15775618 0.81 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4781030 0.80 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21281624 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL15775617 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17193769 0.80 ALDH1A1 (0.45) MGAMGAASIMGAM2ALDH1A1

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-7692030-B2 Conjugates of artemisinin-related endoperoxides and hydrazone derivatives for the treatment of cancer UNIVERSITY OF WASHINGTON (US) 2010-04-06 US disclosed
US-20080103192-A1 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER WASHINGTON, UNIVERSITY OF (US) 2008-05-01 US disclosed
WO-2008046109-A2 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER UNIVERSITY OF WASHINGTON (US) 2008-04-17 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-20080103192-A1 CONJUGATES OF ARTEMISININ-RELATED ENDOPEROXIDES AND HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER DHPS, GPX4, DHFR MGAM 4724/4885GAA 2023/4885SI 1910/4885

“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.