SCHEMBL971946

SCHEMBL971946

Nc1ncccc1-c1nnc(S)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33

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
SCHEMBL11025136 0.77 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL12369672 0.76 ATM (0.38) MAP4K4KDM4EALDH1A1MKNK1MKNK2
SCHEMBL12395273 0.73 ALDH1A1 (0.39) MAP4K4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL970117 0.73
SCHEMBL10062975 0.72 MAP4K4 (0.59) MAP4K4KDM4EMKNK1MKNK2NOS3
SCHEMBL10365075 0.71 TERT (0.39) KDM4ENPC1MAPTRAB9AATM
SCHEMBL968101 0.71 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL25305371 0.70 MAP4K4 (0.42) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL31150860 0.70 MAP4K4 (0.42) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL30968134 0.70 MAP4K4 (0.57) MAP4K4KDM4EMKNK1MKNK2NOS3

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 MAP4K4 2183/4885KDM4E 3077/4885ALDH1A1 2976/4885

“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.