SCHEMBL6399274

SCHEMBL6399274

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCN(CCS)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 6/20 0.53
▸ KCNH2 Q12809 5/20 0.53
▸ HRH2 P25021 1/20 0.53
▸ HRH1 P35367 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MGLL Q99685 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6397323 0.89 KCNJ1 (0.54) KCNJ1KCNH2HRH2HRH1SMN1; SMN2
SCHEMBL8587397 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9519331 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10636257 0.83 TPSAB1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL23199264 0.83 SMN1; SMN2 (0.51) KCNJ1KCNH2HRH2HRH1SMN1; SMN2
SCHEMBL6401181 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10639740 0.82 GRIN2B (0.48) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL5724018 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL27949581 0.81 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL12912355 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 — — US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 — — EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 — — US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 — — EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 — — EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 — — EP 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 KCNJ1 1159/4885KCNH2 1585/4885HRH2 1341/4885

“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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