SCHEMBL970063

SCHEMBL970063

O=[N+]([O-])c1c(-c2nnc(S)s2)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL968154 0.74 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL971661 0.71 TDP1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8043829 0.70 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL968446 0.70 MGAM (0.68) MGAMGAASIMGAM2ALDH1A1
SCHEMBL968868 0.70 GAA (0.44) MGAMGAASIMGAM2ABCC8
SCHEMBL8044727 0.69 HSD17B10 (0.47) MGAMGAASIMGAM2KDM4E
SCHEMBL966960 0.69 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29860351 0.68 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1340438 0.68 ALDH1A1 (0.43) ALDH1A1
SCHEMBL968101 0.68 KDM4E (0.61) KDM4EALDH1A1

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 MGAM 1179/4885GAA 3927/4885SI 3173/4885

“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.