SCHEMBL999459

SCHEMBL999459

COc1cc(-c2nnc(S)o2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GUSB P08236 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37

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
SCHEMBL12947833 0.84 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL12920053 0.81 MAPT (0.41) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL28046895 0.81 PKM (0.50) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL998541 0.77 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL14600784 0.72 NPC1 (0.53) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL970145 0.72 POLB (0.44) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL10549982 0.72 L3MBTL1 (0.68) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL3053830 0.71 NPC1 (0.55) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL210330 0.71 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHSD17B10CYP3A4
SCHEMBL29800558 0.71 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP 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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A ALDH1A1 3217/4885MAPT 2807/4885KDM4E 701/4885

“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.