SCHEMBL4235259

SCHEMBL4235259

COc1nc(N2CCCN(C(=O)OC(C)(C)C)CC2)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KCNH2 Q12809 1/20 0.48
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KMT5A Q9NQR1 1/20 0.40
GPR119 Q8TDV5 5/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
ACHE P22303 1/20 0.39
SLC2A1 P11166 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL4233300 0.95 MAPT (0.53) MAPTALDH1A1LMNAKCNH2CKS1B
SCHEMBL4226448 0.84 CKS1B (0.47) KCNH2CKS1BSKP1SKP2KCNQ3
SCHEMBL15921897 0.82 CKS1B (0.55) MAPTALDH1A1LMNACKS1BSKP1
SCHEMBL15921394 0.79 MEN1 (0.54) MAPTCKS1BSKP1SKP2MEN1
SCHEMBL4238552 0.78 ADORA2A (0.47) MAPTALDH1A1LMNACKS1BSKP1
SCHEMBL13994729 0.76 ALDH1A1 (0.50) MAPTALDH1A1LMNAKCNH2KMT2A
SCHEMBL10297496 0.76 GPR119 (0.55) MAPTALDH1A1LMNACKS1BSKP1
SCHEMBL16836632 0.75 MEN1 (0.53) MAPTALDH1A1CKS1BSKP1SKP2
SCHEMBL24851165 0.74 MEN1 (0.53) MAPTALDH1A1LMNACKS1BSKP1
SCHEMBL2067786 0.73 ALDH1A1 (0.55) MAPTALDH1A1LMNAKCNH2CKS1B

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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR MAPT 4754/4885ALDH1A1 4595/4885LMNA 2647/4885

“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.