SCHEMBL7598689

SCHEMBL7598689

COc1ccc([N+](=O)[O-])cc1C(=O)NCCO

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
NPC1 O15118 2/20 0.67
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.55
KCNMA1 Q12791 1/20 0.49
LMNA P02545 2/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
RORC P51449 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL7563353 0.88 MEN1 (0.65) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL12041020 0.85 MEN1 (0.62) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL28933885 0.83 MEN1 (0.59) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL13844161 0.82 ALDH1A1 (0.54) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL728206 0.82 MEN1 (0.57) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL1531324 0.82 POLB (0.60) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL6590271 0.81 MEN1 (0.57) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL7597169 0.80 MAPT (0.67) KMT2AMEN1NPC1MAPTLMNA
SCHEMBL15574696 0.80 KMT2A (0.53) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL3888450 0.79 TDP1 (0.57) KMT2AMEN1NPC1MAPTPOLB

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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 KMT2A 3787/4885MEN1 2000/4885NPC1 2983/4885

“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.