SCHEMBL14565008

SCHEMBL14565008

N#Cc1ccc(C(=O)c2ccc3[nH]c(=O)oc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.56
NOS3 P29474 1/20 0.56
NOS2 P35228 1/20 0.56
CREBBP Q92793 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALPL P05186 1/20 0.51
SMYD3 Q9H7B4 1/20 0.48
NR3C2 P08235 3/20 0.43
KCNH2 Q12809 1/20 0.43
ALPG P10696 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
AKT1 P31749 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
OGT O15294 1/20 0.39

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
SCHEMBL14565088 0.89 NOS3 (0.68) NOS1NOS3NOS2CREBBPKDM4E
SCHEMBL14565010 0.88 NOS1 (0.52) NOS1NOS3NOS2CREBBPKDM4E
SCHEMBL6647933 0.82 ALDH1A1 (0.60) NOS1CREBBPKDM4EALDH1A1ALPL
SCHEMBL3058058 0.82 NOS1 (0.75) NOS1NOS3NOS2CREBBPKDM4E
SCHEMBL17260664 0.81 KDM4E (0.62) NOS1NOS3NOS2CREBBPKDM4E
SCHEMBL14565095 0.78 NOS3 (0.50) NOS1NOS3NOS2CREBBPKDM4E
SCHEMBL17261317 0.78 CREBBP (0.66) NOS1CREBBPKDM4EALDH1A1SMYD3
SCHEMBL5472766 0.77 NOS1 (0.55) NOS1NOS3NOS2CREBBPKDM4E
SCHEMBL29771053 0.76 KDM4E (0.67) NOS1NOS3NOS2CREBBPKDM4E
SCHEMBL118684 0.76 KDM4E (0.67) NOS1NOS3NOS2CREBBPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 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-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 NOS1 418/4885NOS3 729/4885NOS2 457/4885

“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.