SCHEMBL6344289

SCHEMBL6344289

Nc1nc(N)c(-c2ccc([N+](=O)[O-])cc2)c(CCC(=O)Nc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 13/20 0.59
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 1/20 0.45

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
SCHEMBL6339577 0.86 GHSR (0.58) GHSRMEN1KMT2A
SCHEMBL6342306 0.84 GHSR (0.54) GHSR
Hydrochloric Acid SCHEMBL6353018 0.83 GHSR (0.53) GHSR
SCHEMBL6344285 0.81 GHSR (0.55) GHSRMAPT
SCHEMBL3635134 0.77 GHSR (0.72) GHSR
SCHEMBL6401275 0.74 GHSR (1.00) GHSR
SCHEMBL6244594 0.73 GHSR (0.76) GHSRALDH1A1MEN1KMT2ATP53
SCHEMBL6243748 0.73 GHSR (0.81) GHSR
SCHEMBL4016784 0.72 ALDH1A1 (0.73) MAPTALDH1A1MEN1KMT2A
SCHEMBL6402783 0.71 GHSR (0.89) GHSR

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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 — — US disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 — — 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 (2 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 GHSR 1/4885MAPT 4601/4885ALDH1A1 2435/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR GHSR 5/4885MAPT 4420/4885ALDH1A1 2333/4885

“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.

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