SCHEMBL25859806

SCHEMBL25859806

O=NN(CCF)C(=O)NCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 3/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK14 Q16539 1/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
GLS O94925 1/20 0.44

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
SCHEMBL25860627 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL11702558 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL25859959 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL25859962 0.78 HPGD (0.48) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL11701411 0.74 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL11614216 0.73 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL4893352 0.72 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL11597819 0.72 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL30522589 0.71 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL29460273 0.71 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212202-A1 TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS YALE UNIVERSITY 2023-07-06 US disclosed
US-20230212202-A1 TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS YALE UNIVERSITY 2023-07-06 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 (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-20230212202-A1 TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS MSH2, MGMT, MSH6 SMN1; SMN2 103/4885NPC1 1828/4885RAB9A 2995/4885

“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.