SCHEMBL969067

SCHEMBL969067

N#Cc1ccccc1-c1nnc(S)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 3/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PTGES O14684 1/20 0.33
CYP19A1 P11511 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL11324360 0.79 ALDH1A1 (0.59) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL968101 0.74 KDM4E (0.61) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL970693 0.73 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL22469017 0.73 GUSB (0.46) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL971700 0.73 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL8046899 0.73 HDAC1 (0.43) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL11025136 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDPTGES
SCHEMBL222 0.70 ESR2 (0.60) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL29412287 0.70 ESR2 (0.60) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL971940 0.69 KDM4E (0.66) ALDH1A1KDM4ETSHRHSD17B10HPGD

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 ESR2 4305/4885GABRG2 4527/4885GABRB3 4573/4885

“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.