SCHEMBL2911330

SCHEMBL2911330

CC(C)c1c([N+](=O)[O-])c(C(=O)O)nn1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 3/20 0.37
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
RECQL P46063 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
SCHEMBL6690449 0.86 SMN1; SMN2 (0.43) ALDH1A1MAPTMAPK1NPSR1PKM
Iodomethane SCHEMBL3389060 0.82 MEN1 (0.40) ALDH1A1MAPTMAPK1NPSR1PKM
SCHEMBL21625506 0.80 PKM (0.41) ALDH1A1MAPTMAPK1NPSR1PKM
SCHEMBL5273884 0.78 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1NPSR1PKM
SCHEMBL4705798 0.78 MEN1 (0.46) ALDH1A1MAPTMAPK1NPSR1PKM
SCHEMBL10920509 0.72 SMN1; SMN2 (0.42) ALDH1A1MAPTNPSR1PKMCYP1A2
SCHEMBL6445959 0.72 SMN1; SMN2 (0.49) ALDH1A1MAPTMAPK1NPSR1PKM
SCHEMBL7003999 0.72 MEN1 (0.50) MAPTNPSR1PKMCYP1A2SMN1; SMN2
SCHEMBL15567088 0.70 MAPT (0.38) ALDH1A1MAPTMAPK1NPSR1PKM
SCHEMBL4703006 0.68 LMNA (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2MEN1

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
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 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-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 ALDH1A1 1092/4885MAPT 4718/4885MAPK1 4153/4885

“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.