SCHEMBL14200041

SCHEMBL14200041

CC(C)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
NPSR1 Q6W5P4 2/20 0.59
HIF1A Q16665 1/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL14228185 0.84 LMNA (0.63) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL21523770 0.81 LMNA (0.58) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL2360147 0.81 ALDH1A1 (0.60) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL29276679 0.81 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL166869 0.81 LMNA (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3599147 0.81 KMT2A (0.59) ALDH1A1NPSR1HIF1AMAPTMEN1
SCHEMBL1978804 0.80 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28138593 0.78 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL712395 0.78 MEN1 (0.58) ALDH1A1NPSR1HIF1AMAPTMEN1
SCHEMBL21523693 0.77 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTMEN1KMT2A

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 ALDH1A1 2289/4885NPSR1 436/4885HIF1A 1114/4885

“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.