SCHEMBL14199912

SCHEMBL14199912

Cc1ccc(C(=O)NCCCI)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BRD4 O60885 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
SCHEMBL14450789 0.91 HPGD (0.47) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL14199914 0.91 HPGD (0.47) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12253976 0.88 SIGMAR1 (0.45) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL14199911 0.83 MEN1 (0.43) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12253970 0.82 PTPN1 (0.47) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL12253971 0.80 ALDH1A1 (0.46) POLBRAB9AMAPTALDH1A1KMT2A
SCHEMBL6444467 0.80 DRD3 (0.52) POLB
SCHEMBL14199913 0.78 MEN1 (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL12779412 0.76 SENP5 (0.49) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL14199904 0.76 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 — — US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 — — US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 HPGD 3950/4885POLB 3767/4885NPC1 1205/4885

“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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