SCHEMBL16450335

SCHEMBL16450335

CCn1nc(C(C)=O)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.81
▸ KDM4E B2RXH2 3/20 0.81
▸ TSHR P16473 2/20 0.81
▸ LMNA P02545 1/20 0.81
▸ BLM P54132 1/20 0.81
▸ PMP22 Q01453 1/20 0.81
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
Cinoxacin SCHEMBL29471771 0.90 KDM4E (1.00) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11153077 0.90 ALDH1A1 (0.81) ALDH1A1KDM4ETSHRLMNABLM
Cinoxacin SCHEMBL43770 0.90 KDM4E (1.00) ALDH1A1KDM4ETSHRLMNABLM
Cinoxacin SCHEMBL28034323 0.89 KDM4E (0.97) ALDH1A1KDM4ETSHRLMNABLM
Cinoxacin SCHEMBL28034322 0.89 KDM4E (0.97) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11149089 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11149177 0.83 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11149202 0.83 ALDH1A1 (0.70) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL11009750 0.81 KDM4E (0.67) ALDH1A1KDM4ETSHRLMNABLM
SCHEMBL9040334 0.80 KDM4E (0.67) ALDH1A1KDM4ETSHRLMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM TECHFIELDS INC. (US) 2023-05-25 — — US disclosed
US-20150044169-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION UNIV LELAND STANFORD JUNIOR (US) 2015-02-12 — — 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 (2 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-20150044169-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION HAVCR2, MAVS, EIF2AK2 ALDH1A1 757/4885KDM4E 3386/4885TSHR 4850/4885
US-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM SLC7A1, ABCG2, SLCO4C1 ALDH1A1 3097/4885KDM4E 4855/4885TSHR 4222/4885

“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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