SCHEMBL3387368

SCHEMBL3387368

CN(CCN1CCOCC1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.55
POLB P06746 3/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
KCNJ1 P48048 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CB P42338 1/20 0.42
CTSB P07858 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL14079212 0.89 PKM (0.49) PKMPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL28052398 0.89 PKM (0.58) PKMPOLBALDH1A1MAPTLMNA
SCHEMBL14079213 0.87 PKM (0.45) PKMPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL14079211 0.82 PKM (0.46) PKMPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL2377976 0.81 MAPT (0.55) PKMPOLBALDH1A1MAPTLMNA
SCHEMBL23634077 0.80 PKM (0.74) PKMPOLBALDH1A1CYP1A2MAPT
SCHEMBL26640911 0.79 POLB (0.44) PKMPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL3388981 0.79 SMYD3 (0.42) PKMALDH1A1CYP1A2LMNASIGMAR1
SCHEMBL15972100 0.79 ALDH1A1 (0.57) PKMPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL14079208 0.78 PKM (0.52) PKMPOLBALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 PKM 3614/4885POLB 4178/4885ALDH1A1 2440/4885

“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.