SCHEMBL5103809

SCHEMBL5103809

COC(=O)C(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1cc[n+]([O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.58
TACR2 P21452 4/20 0.58
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.53
MTOR P42345 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 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
SCHEMBL5103841 0.91 TACR3 (0.56) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL5112779 0.90 TACR3 (0.58) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4616686 0.90 TACR3 (0.58) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL5106476 0.89 TACR3 (0.62) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4603512 0.88 TACR3 (0.60) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL5099623 0.86 TACR3 (0.53) TACR3TACR2
SCHEMBL14015180 0.85 TACR3 (0.62) TACR3TACR2
SCHEMBL4603191 0.83 TACR3 (0.59) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4601759 0.83 TACR3 (0.56) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL14015174 0.83 TACR3 (0.84) TACR3TACR2TSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US claimed
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US disclosed
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 TACR3 8/4885TACR2 6/4885TSHR 255/4885

“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.