SCHEMBL23258256

SCHEMBL23258256

NC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.57
▸ F12 P00748 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ F10 P00742 1/20 0.49
▸ PLAU P00749 1/20 0.49
▸ PLAT P00750 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAOB P27338 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47

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
SCHEMBL23258437 0.87 MAOB (0.56) MMP2F12POLBNPC1RAB9A
SCHEMBL23258715 0.87 MEN1 (0.57) MMP2F12POLBNPC1RAB9A
SCHEMBL5867051 0.86 F12 (0.72) MMP2F12NPC1RAB9ATP53
SCHEMBL6239637 0.81 POLB (0.58) MMP2F12POLBNPC1RAB9A
SCHEMBL4001852 0.80 POLB (0.69) F12POLBNPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL7803214 0.79 POLB (0.68) F12POLBNPC1RAB9ATSHR
SCHEMBL23258482 0.79 NPC1 (0.61) MMP2F12POLBNPC1RAB9A
SCHEMBL13219611 0.79 MAOB (0.75) MMP2F12NPC1RAB9ATP53
SCHEMBL2102040 0.78 NPC1 (0.56) MMP2F12POLBNPC1RAB9A
SCHEMBL23258475 0.78 MEN1 (0.69) MMP2F12POLBNPC1RAB9A

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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 — — 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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA MMP2 87/4885F12 877/4885POLB 1750/4885

“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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