SCHEMBL968786

SCHEMBL968786

Nc1ccsc1-c1nnc(S)s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL8044635 0.70 KMT2A (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL3715393 0.70 CES1 (0.39) ALDH1A1HSD17B10NOS3NOS2
SCHEMBL3710685 0.68 HSP90AA1 (0.48) ALDH1A1HSD17B10
SCHEMBL11025136 0.68 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10
SCHEMBL19114282 0.67 NOS3 (0.31) NOS3NOS2
SCHEMBL969375 0.67 PLA2G10 (0.33)
SCHEMBL970590 0.67 MEN1 (0.46) KDM4EALDH1A1HSD17B10
SCHEMBL14557099 0.66 KDM4E (0.43) KDM4EALDH1A1HSD17B10
SCHEMBL3714018 0.66 NOS1 (0.44) ALDH1A1HSD17B10
SCHEMBL971554 0.65 KDM4E (0.61) KDM4EALDH1A1EPHX2HSD17B10

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 KDM4E 3077/4885ALDH1A1 2976/4885EPHX2 4761/4885

“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.