SCHEMBL7077435

SCHEMBL7077435

Cn1cc2c(=O)n(Cc3ccccc3[N+](=O)[O-])cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
BRD4 O60885 2/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40

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
SCHEMBL7079144 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL7000340 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL7000103 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL7077422 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNABRD4POLB
SCHEMBL7001724 0.79 TP53 (0.56) ALDH1A1MAPK1SMN1; SMN2RAB9AHTT
SCHEMBL7003827 0.79 SMN1; SMN2 (0.49) SMN1; SMN2LMNABRD4POLBKDM4E
SCHEMBL7081274 0.76 LMNA (0.51) ALDH1A1MAPK1SMN1; SMN2LMNAMEN1
SCHEMBL6997875 0.73 CHRM1 (0.52) ALDH1A1MAPK1RAB9AHTTLMNA
SCHEMBL7083035 0.73 TSHR (0.57) ALDH1A1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL7003576 0.73 LMNA (0.48) SMN1; SMN2HTTLMNAMEN1KMT2A

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-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 US claimed
US-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 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-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same DDO, GRIN3A, GRIK4 ALDH1A1 568/4885MAPK1 3675/4885SMN1; SMN2 861/4885

“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.