SCHEMBL29975469

SCHEMBL29975469

N=C(N)c1ccccc1OOc1ccccc1C(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.46
F2 P00734 3/20 0.46
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.41
CTNNB1 P35222 1/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
C1S P09871 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
WDR5 P61964 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL128193 0.82 CA1 (0.56) F10F2HTTMRGPRX1CA12
SCHEMBL25707413 0.82 F10 (0.44) F10F2F12F7F3
SCHEMBL29970206 0.82 CA1 (0.56) F10F2HTTMRGPRX1CA12
Hydrochloric Acid SCHEMBL3284355 0.80 CA1 (0.54) F10F2HTTMRGPRX1CA12
Hydrochloric Acid SCHEMBL31037950 0.80 CA1 (0.54) F10F2HTTMRGPRX1CA12
SCHEMBL10495281 0.79 F2 (0.55) F10F2F12F7F3
SCHEMBL23249713 0.79 KDM4E (0.44) F10F2BLMCTNNB1PRSS1
SCHEMBL9857038 0.79 LMNA (0.51) F2PRSS1PRSS2PRSS3C1S
SCHEMBL3085720 0.79 CTNNB1 (0.67) F10F2CTNNB1KMT2AHTT
SCHEMBL2564929 0.77 HCRTR1 (0.53) PRSS1PRSS2PRSS3KMT2AHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241180-A1 COMPOSITION COMPRISING SORBITOL OR XYLITOL, AND A GELLING AGENT COSMETIC WARRIORS LIMITED (GB) 2022-08-04 US 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-20220241180-A1 COMPOSITION COMPRISING SORBITOL OR XYLITOL, AND A GELLING AGENT SORD, ALDOA, DCXR F10 439/4885F2 1566/4885F12 121/4885

“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.