SCHEMBL9891847

SCHEMBL9891847

CCC(=O)NCc1cn(C(C)(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.41
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MIF P14174 3/20 0.34
GRIA2 P42262 1/20 0.34
CYP11B2 P19099 1/20 0.33

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
SCHEMBL24095996 0.84 EPHX2 (0.47)
SCHEMBL9889152 0.83 MAPT (0.39) CA12CA1CA2CA9NOTUM
SCHEMBL25138435 0.82 RIPK1 (0.47) CA12CA1CA2CA9RAB9A
SCHEMBL13435235 0.80 GLS (0.41) GLSKDM4ELMNARAB9ANOTUM
SCHEMBL17369045 0.78 GLS (0.45) GLSKDM4ELMNARAB9AFTO
SCHEMBL19497747 0.77 MAP3K8 (0.34) CA12CA1CA2CA9
SCHEMBL20997046 0.76 PARP14 (0.41) GLSKDM4ELMNARAB9ANOTUM
SCHEMBL21790462 0.75 KDM4E (0.38) GLSKDM4ELMNARAB9ANOTUM
SCHEMBL21672550 0.75 MAP3K8 (0.36) KDM4E
SCHEMBL25446419 0.74 SMN1; SMN2 (0.39) CA1CA2KDM4ELMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142711-A1 ACID-LABILE TRIGGER UNITS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2012-06-07 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-20120142711-A1 ACID-LABILE TRIGGER UNITS ASIC1, ABL1, CA9 GLS 4631/4885CA12 13/4885CA1 8/4885

“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.