SCHEMBL970593

SCHEMBL970593

Cn1ncc(-c2nnc(S)s2)c1N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29674849 0.65
SCHEMBL8042754 0.63 SMN1; SMN2 (0.39) ALDH1A1MAPTSMN1; SMN2GLAGAA
SCHEMBL9970857 0.62 PI4KA (0.40) ALDH1A1POLBMAPTSMN1; SMN2GLA
SCHEMBL16652843 0.62 EPHX2 (0.42) ALDH1A1POLBMAPTSMN1; SMN2GLA
SCHEMBL969142 0.61 KDM4E (0.43) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL971946 0.61 MAP4K4 (0.41) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL16780344 0.61 ALDH1A1 (0.36) ALDH1A1POLBMAPTSMN1; SMN2GLA
SCHEMBL971700 0.61 ALDH1A1 (0.49) ALDH1A1POLBMAPTSMN1; SMN2GLA
SCHEMBL33843 0.60
SCHEMBL5331480 0.60 RAB9A (0.51) ALDH1A1POLBMAPTSMN1; SMN2

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 2976/4885POLB 2813/4885MAPT 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.