SCHEMBL969570

SCHEMBL969570

Cn1cc([N+](=O)[O-])nc1-c1nnc(S)s1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ SOS1 Q07889 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL12947881 0.85 ALDH1A1 (0.40) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL12920050 0.82 ALDH1A1 (0.37) ALDH1A1SOS1MITFPKMSMN1; SMN2
SCHEMBL14079856 0.75 ALDH1A1 (0.39) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL969711 0.70 MITF (0.36) ALDH1A1MITFPOLBHTTSMN1; SMN2
SCHEMBL63286 0.69 ALDH1A1 (0.59) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL10460856 0.68 CYP1A2 (0.38) ALDH1A1SOS1PKMPOLBSMN1; SMN2
SCHEMBL971068 0.66 MGAM (0.32) —
SCHEMBL971872 0.66 MEN1 (0.36) PKMPOLB
SCHEMBL5353581 0.66 MITF (0.46) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL8443810 0.65 ALDH1A1 (0.41) ALDH1A1MITFPKMPOLBHTT

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 2976/4885SOS1 1355/4885MITF 3728/4885

“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.

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