SCHEMBL4909477

SCHEMBL4909477

N=C(NO)c1ccccc1N1CCOCC1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.39
PTGS2 P35354 7/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL580649 0.79 NPC1 (0.49) F10PTGS2ALDH1A1
SCHEMBL29842516 0.75 F10 (0.43) F10PTGS2MEN1KMT2A
SCHEMBL4903474 0.75 PTGS2 (0.48) F10PTGS2ALDH1A1
SCHEMBL28471494 0.73 F10 (0.43) F10PTGS2MEN1KMT2A
SCHEMBL28755567 0.69 CNR1 (0.49) F10PTGS2ALDH1A1MEN1KMT2A
SCHEMBL23064554 0.69 HCAR1 (0.40) F10PTGS2ALDH1A1SMN1; SMN2MEN1
SCHEMBL21805487 0.69 PIK3CD (0.40) F10PTGS2ALDH1A1MEN1KMT2A
SCHEMBL198132 0.68 PTGS2 (0.57) F10PTGS2MEN1KMT2A
SCHEMBL1628707 0.68 MAPT (0.47) PTGS2ALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL21805800 0.68 PIK3CD (0.38) F10PTGS2MEN1KMT2A

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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 F10 2414/4885PTGS2 2008/4885ALDH1A1 517/4885

“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.