SCHEMBL6169858

SCHEMBL6169858

CCOC(=O)CC1CC1c1ncc([N+](=O)[O-])c(Cl)c1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MITF O75030 1/20 0.34
VCAM1 P19320 1/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LMNA P02545 3/20 0.32
GLA P06280 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL6170147 0.83 ALDH1A1 (0.32) ALDH1A1MAPK1LMNA
SCHEMBL6168191 0.82 PPOX (0.34) ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL6171926 0.82
Hydrochloric Acid SCHEMBL7007823 0.81 PPOX (0.34) ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL6168213 0.77 VCAM1 (0.32) VCAM1
SCHEMBL27630132 0.72 MAPK1 (0.31) MAPTMAPK1
SCHEMBL27629941 0.70 DGAT1 (0.41) ALDH1A1MITFVCAM1MAPTRAB9A
SCHEMBL8324795 0.68 MIF (0.38) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6169867 0.67 AKR1B1 (0.36)
SCHEMBL27629945 0.67 KDM4E (0.35) ALDH1A1VCAM1MAPTRAB9AKDM4E

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-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 ALDH1A1 2739/4885MITF 1697/4885VCAM1 4701/4885

“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.