SCHEMBL969967

SCHEMBL969967

Nc1nnc(Cc2ccccc2C(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLS O94925 3/20 0.44
F2 P00734 1/20 0.44
FOLH1 Q04609 1/20 0.42

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
SCHEMBL967720 0.82 TSHR (0.46) ALDH1A1MAPTTSHRTP53ALOX15
SCHEMBL2197478 0.74 ALDH1A1 (0.67) ALDH1A1MAPTATMHPGDHSD17B10
SCHEMBL2198158 0.74 ALDH1A1 (0.67) ALDH1A1MAPTATMHPGDHSD17B10
SCHEMBL11337942 0.74 ALDH1A1 (0.59) ALDH1A1MAPTATMTSHRHPGD
SCHEMBL69352 0.74 TSHR (0.68) ALDH1A1MAPTTSHRHPGDTP53
SCHEMBL2644442 0.73 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTATMTSHR
SCHEMBL17938486 0.72 TSHR (0.66) ALDH1A1MAPTTSHRHPGDTP53
SCHEMBL5808173 0.72 TSHR (0.56) ALDH1A1MAPTTSHRTP53ALOX15
SCHEMBL3727127 0.70 ALDH1A1 (0.56) ALDH1A1MAPTATMHPGDHSD17B10
SCHEMBL15796669 0.69 TSHR (0.72) ALDH1A1TSHRALOX15FOLH1

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 ALDH1A1 2976/4885L3MBTL1 17/4885MAPT 3463/4885

“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.