SCHEMBL3544241

SCHEMBL3544241

COc1ccc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
POLB P06746 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 4/20 0.58
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL736393 0.91 SIRT6 (0.52) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL3541959 0.84 POLB (0.47) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL3939908 0.84 POLB (0.47) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL15434058 0.84 POLB (0.57) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL9964597 0.83 AURKA (0.51)
SCHEMBL3542244 0.82 LMNA (0.63) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL30356891 0.82 POLB (0.55) ALDH1A1POLBLMNASMN1; SMN2KMT2A
SCHEMBL3551013 0.81 ALDH1A1 (0.56) ALDH1A1POLBLMNAKMT2ACYP3A4
SCHEMBL4521440 0.81 LMNA (0.58) ALDH1A1POLBLMNASMN1; SMN2RAB9A
SCHEMBL1560662 0.81 LMNA (0.49) ALDH1A1POLBLMNASMN1; SMN2NPC1

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ALDH1A1 422/4885POLB 3906/4885LMNA 1996/4885

“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.