SCHEMBL7598685

SCHEMBL7598685

COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.53
KCNMA1 Q12791 2/20 0.50
RORC P51449 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 1/20 0.48
ANO1 Q5XXA6 1/20 0.47
ANO2 Q9NQ90 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL31546635 0.84 ALDH1A1 (0.64) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL1531324 0.83 POLB (0.60) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL728206 0.83 MEN1 (0.57) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL28933885 0.82 MEN1 (0.59) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL5925546 0.81 GAA (0.58) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL7597164 0.81 RORC (0.59) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL570064 0.80 TDP1 (0.57) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL3884099 0.78 TDP1 (0.58) SMN1; SMN2LMNAMEN1KMT2APOLB
Zinc Ion SCHEMBL9192290 0.78 TDP1 (0.58) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL15486505 0.78 TDP1 (0.58) SMN1; SMN2LMNAMEN1KMT2APOLB

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 SMN1; SMN2 1582/4885LMNA 1976/4885MEN1 2000/4885

“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.