SCHEMBL14228404

SCHEMBL14228404

CCCCOc1c(C)ccc(C(=O)Nc2cccc(C=O)c2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR1H4 Q96RI1 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL12778251 0.88 MEN1 (0.47) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL12779413 0.86 MEN1 (0.47) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL12778249 0.79 MEN1 (0.47) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL12777765 0.76 PKM (0.43) SMN1; SMN2RAB9AKMT2AMAPTMAPK1
SCHEMBL14199904 0.75 MEN1 (0.52) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL15679923 0.73 MAPT (0.41) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL12779412 0.73 SENP5 (0.49) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL12777764 0.73 TSHR (0.49) SMN1; SMN2KMT2AMEN1MAPK1ALDH1A1
SCHEMBL14450788 0.71 GRIN2D (0.40) RAB9AMAPTALDH1A1LMNAPOLB
SCHEMBL14228256 0.70 GRIN2D (0.45) RAB9AKMT2AMAPTMAPK1ALDH1A1

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 2738/4885KMT2A 2424/4885

“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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