SCHEMBL14199833

SCHEMBL14199833

COc1cccc(C(=O)Nc2cccc(CC(C)C)c2)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ KCNK3 O14649 6/20 0.52
▸ KCNK9 Q9NPC2 6/20 0.52
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL15871961 0.88 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKCNK3KCNK9KMT2A
SCHEMBL5221779 0.77 RAB9A (0.65) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14345211 0.76 ALDH1A1 (0.59) SMN1; SMN2RAB9AKCNK3KCNK9KMT2A
SCHEMBL6591553 0.76 MEN1 (0.59) SMN1; SMN2RAB9AKCNK3KCNK9KMT2A
SCHEMBL13163081 0.75 POLB (0.70) SMN1; SMN2RAB9AKMT2AALDH1A1MAPT
SCHEMBL18997912 0.74 MEN1 (0.56) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL26162537 0.74 MEN1 (0.56) SMN1; SMN2KCNK3KCNK9KMT2AMEN1
SCHEMBL13442876 0.74 CASP3 (0.77) SMN1; SMN2RAB9AKMT2AMEN1POLB
SCHEMBL1337560 0.73 KCNK3 (0.72) SMN1; SMN2RAB9AKCNK3KCNK9KMT2A
SCHEMBL11592283 0.73 HPGD (0.56) SMN1; SMN2RAB9AKCNK3KCNK9KMT2A

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-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

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 SMN1; SMN2 3927/4885RAB9A 2738/4885KCNK3 2743/4885

“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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